ABRAHAM FOUAD JALBOUT



DATOS GENERALES
Nombre completo   ABRAHAM FOUAD JALBOUT
Máximo nivel de estudios   DOCTORADO
Antigüedad académica en la UNAM   2 años
NOMBRAMIENTOS
Último  INVESTIGADOR TITULAR A TC No Definitivo
Instituto de Ciencias Nucleares
INVESTIGADOR TITULAR A TC No Definitivo
Instituto de Ciencias Nucleares
Desde 01-10-2008 hasta 15-08-2009
INVESTIGADOR TITULAR A TC No Definitivo
Instituto de Química
Desde 01-01-2008 (fecha inicial de registros en el SIIA) hasta 31-05-2008
ESTIMULOS, PROGRAMAS, PREMIOS Y RECONOCIMIENTOS
* SNI III2012 - 2021
* SNI II2009 - 2011
INFORMACIÓN DE PUBLICACIONES
Firmas  
Abraham, FJ Jalboult, AF Jalbout A. Jalbout A.F Jalbout A.F. Jalbout, A
Jalbout, Abraham F. Jalbout, AF
ID's SCOPUS  
7005105339 56000859900
Áreas de conocimiento  
Computer science, interdisciplinary applications Crystallography Chemistry, analytical Chemistry, inorganic and nuclear Chemistry, medicinal
Chemistry, multidisciplinary Chemistry, physical Electrochemistry Environmental sciences Food science & technology
Geosciences, multidisciplinary Instruments & instrumentation Jcs 2008 Materials science, coatings & films Materials science, multidisciplinary
Mathematics, interdisciplinary applications Physics, applied Physics, atomic, molecular & chemical Physics, atomic, molecular and chemical Physics, condensed matter
Physics, interdisciplinary Physics, mathematical Physics, multidisciplinary Polymer science Scie jcr
Spectroscopy Agricultural and Biological Sciences (miscellaneous) Analytical chemistry Atomic and Molecular Physics, and Optics Biochemistry
Clinical Biochemistry Computer Science (miscellaneous) Computer Science Applications Condensed Matter Physics Chemical Engineering (miscellaneous)
Chemistry (miscellaneous) Drug Discovery Education Electrical and Electronic Engineering Energy (miscellaneous)
Energy Engineering and Power Technology Food Science Instrumentation Materials Chemistry Materials Science (miscellaneous)
Mechanical Engineering Medicine (miscellaneous) Metals and Alloys Organic Chemistry Pharmacology
Physical and Theoretical Chemistry Physics and Astronomy (miscellaneous) Polymers and Plastics Space and Planetary Science Spectroscopy
Waste Management and Disposal
Coautorías con entidades de la UNAM  
  • Centro de Ciencias Aplicadas y Desarrollo Tecnológico
  • Centro de Nanociencias y Nanotecnología en la UNAM
  • Instituto de Física
  • Instituto de Química
  • Instituto de Ciencias Nucleares
  • Instituto de Ciencias Físicas
  • Facultad de Ciencias
 Revistas en las que ha publicado  (69):
  1. ACTA CHIM SLOV, Eslovenia (2002, 2007)
  2. ACTA PHYSICA POLONICA B, Polonia (2008)
  3. ADVANCED MATERIALS, Alemania (2006)
  4. Advances in Quantum Chemistry, Estados Unidos America (2007)
  5. APPLIED PHYSICS LETTERS, Estados Unidos America (2002)
  6. APPLIED SPECTROSCOPY, Estados Unidos America (2008)
  7. Arkivoc, (2007, 2008)
  8. Arkivoc, Estados Unidos America (2008)
  9. Astrobiology, Estados Unidos America (2007)
  10. BIOORGANIC & MEDICINAL CHEMISTRY, Reino Unido (2003)
  11. BULLETIN OF ENVIRONMENTAL CONTAMINATION AND TOXICOLOGY, Estados Unidos America (2006)
  12. CENT EUR J CHEM, Polonia (2007, 2008)
  13. COLLECT CZECH CHEM C, República Checa (2003)
  14. COMMUN THEOR PHYS, China (2005)
  15. COMPUTATIONAL AND THEORETICAL CHEMISTRY, Países Bajos (2011)
  16. COMPUTATIONAL MATERIALS SCIENCE, Países Bajos (2008, 2009, 2012)
  17. CHEMICAL PHYSICS, Países Bajos (2000, 2001, 2006, 2007, 2008)
  18. CHEMICAL PHYSICS LETTERS, Países Bajos (2001, 2002, 2003, 2004, 2006, 2007, 2008, 2016)
  19. Chemistry, Bulgaria (2007)
  20. CHINESE J STRUC CHEM, China (2007, 2008)
  21. CHINESE JOURNAL OF PHYSICS, Taiwan (2006, 2007)
  22. Chromatographia, Alemania (2007)
  23. ECLET QUIM, (2006, 2007, 2008)
  24. ELECTROCHEM SOLID ST, Estados Unidos America (2008)
  25. ELECTROCHIMICA ACTA, Reino Unido (2008, 2009)
  26. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, Francia (2009)
  27. EUROPEAN PHYSICAL JOURNAL D, Estados Unidos America (2003, 2009)
  28. FOOD CHEMISTRY, Reino Unido (2007)
  29. HETEROATOM CHEM, Estados Unidos America (2008)
  30. Heterocycles, Japón (2008)
  31. International Journal of Mathematics and Mathematical Sciences, Estados Unidos America (2002)
  32. INTERNATIONAL JOURNAL OF MODERN PHYSICS B, Singapur (2011)
  33. International Journal of Nanoscience, Singapur (2009)
  34. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Estados Unidos America (2002, 2004, 2006, 2007, 2008, 2009, 2010)
  35. J INDIAN CHEM SOC, India (2007)
  36. J IRAN CHEM SOC, Irán (2008, 2009)
  37. J THEOR COMPUT CHEM, Singapur (2007, 2008, 2009)
  38. JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE, Estados Unidos America (2008, 2009, 2013)
  39. JOURNAL OF CHEMICAL PHYSICS, Estados Unidos America (2002, 2003, 2004, 2008)
  40. JOURNAL OF HETEROCYCLIC CHEMISTRY, Estados Unidos America (2007)
  41. JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, Países Bajos (2004)
  42. Journal of Materials and Environmental Science, Marruecos (2013)
  43. JOURNAL OF MATHEMATICAL CHEMISTRY, Estados Unidos America (2008, 2009)
  44. JOURNAL OF MOLECULAR GRAPHICS & MODELLING, Estados Unidos America (2008)
  45. JOURNAL OF MOLECULAR LIQUIDS, Países Bajos (2008)
  46. JOURNAL OF MOLECULAR STRUCTURE, Países Bajos (2002, 2005, 2018)
  47. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, Países Bajos (2001, 2002, 2003, 2004, 2007, 2008, 2009, 2010)
  48. JOURNAL OF ORGANOMETALLIC CHEMISTRY, Suiza (2006, 2007, 2008)
  49. JOURNAL OF PHYSICAL CHEMISTRY A, Estados Unidos America (2001, 2003, 2004, 2006, 2008)
  50. JOURNAL OF PHYSICAL CHEMISTRY C, Estados Unidos America (2008, 2009)
  51. JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, Estados Unidos America (2005)
  52. JOURNAL OF POWER SOURCES, Países Bajos (2009)
  53. Materials Research Society Symposium Proceedings, Estados Unidos America (2007)
  54. MolBank, Suiza (2007)
  55. MOLECULAR PHYSICS, Reino Unido (2002, 2005, 2006, 2007)
  56. OPTICS, PHOTONICS, AND DIGITAL TECHNOLOGIES FOR IMAGING APPLICATIONS VIII, Estados Unidos America (2001, 2002)
  57. ORIGINS OF LIFE AND EVOLUTION OF BIOSPHERES, Países Bajos (2008)
  58. P INDIAN AS-CHEM SCI, (2008)
  59. PHYSICS LETTERS A, Países Bajos (2004)
  60. POL J CHEM, (2002)
  61. Polymer, Reino Unido (2014)
  62. PROTEIN AND PEPTIDE LETTERS, (2008)
  63. SOLID STATE COMMUNICATIONS, Estados Unidos America (2006, 2007)
  64. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, Reino Unido (2002, 2004)
  65. THEORETICAL CHEMISTRY ACCOUNTS, Estados Unidos America (2004, 2008)
  66. Thin Solid Films, Suiza (2010)
  67. TRANSITION METAL CHEMISTRY, Países Bajos (2008)
  68. VIBRATIONAL SPECTROSCOPY, Países Bajos (2003, 2007)
  69. WSEAS Transactions on Circuits and Systems, Grecia (2010)
  70. Z KRIST-NEW CRYST ST, Alemania (2007)


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Documentos indexados (WoS y Scopus)

# Título del documento Autores Año Revista Fuente Citas WoS Citas Scopus
1TGA, Hirshfeld, Raman spectroscopy and computational studies of diethylammonium hexachloroplumbate [(C2H5)2NH2]2PbCl6Coautor: Jalbout A.F., Ouasri A., El-Adel L., Zouihri H., et al.2018JOURNAL OF MOLECULAR STRUCTUREWoS-id: 000425197400072
Scopus-id: 2-s2.0-85040080049
77
2Metal enhanced interactions of graphene with monosaccharides2ᵒ autor y autor de correspondencia: Jalbout A.F., Pereyda-Pierre C.2016CHEMICAL PHYSICS LETTERSWoS-id: 000374966900019
Scopus-id: 2-s2.0-84961675202
11
3Carbon nanotube surface-induced crystallization of polyethylene terephthalate (PET)Coautor: Jalbout A.F., Cruz-Delgado V.J., Ávila-Orta C.A., Espinoza-Martínez A.B., et al.2014PolymerWoS-id: 000331154700023
Scopus-id: 2-s2.0-84892807589
3845
4Theoretical Study of Amino Acids Encapsulation in Zigzag Single-Walled Carbon NanotubesCoautor: Jalbout A.F., Chang C.M., Tseng H.L., De Leon A., et al.2013JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCEWoS-id: 000315749100002
Scopus-id: 2-s2.0-84876530686
2124
5DFT study on the biomolecular storage capacity of armchair singled-walled carbon nanotubesCoautor: Jalbout A.F., Chang C.M., Tseng H.L., De Leon A.2013JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCEWoS-id: 000315749100003
Scopus-id: 2-s2.0-84876549721
1513
6Theoretical design of free radical "sponges" in DNA2ᵒ autor y autor de correspondencia: Jalbout A.F., Chang C.M.2013JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCEWoS-id: 000315749100012
Scopus-id: 2-s2.0-84876539561
13
7New comparative theoretical calculations of some N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]phenylamines tripodal ligandsCoautor: Jalbout A.F., Bouabdallah I., Touzani R., Zidane I., et al.2013Journal of Materials and Environmental ScienceScopus-id: 2-s2.0-84878935643
01
8Theoretical insights on the storage of carbon dioxide using single-walled carbon nanotubesCoautor: Jalbout A.F., Chang C.M., De Leon A., Alvaro, PA2012COMPUTATIONAL MATERIALS SCIENCEWoS-id: 000307827500022
Scopus-id: 2-s2.0-84863530317
55
9Comparison between the two different forms of iron(IV)-oxo porphyrin and the effects of neutral axial ligand on their catalysis: A theoretical studyCoautor: Jalbout A.F., Sun Y., Hu X., Li H.2011COMPUTATIONAL AND THEORETICAL CHEMISTRYWoS-id: 000291325100010
Scopus-id: 2-s2.0-84855163674
78
10Comparison between the two different forms of iron(IV)-oxo porphyrin and the effects of neutral axial ligand on their catalysis: A theoretical study (vol 966, pg 62, 2011)Coautor: Jalbout A.F., Sun Y., Hu X., Li H.2011COMPUTATIONAL AND THEORETICAL CHEMISTRYWoS-id: 000294395800013
Scopus-id: 2-s2.0-84555190393
00
11AMELIORATING THE FORMATION OF FULLERENE COMPLEXES WITH AMINO ACIDS. A THEORETICAL STUDY1ᵉʳ autor y autor de correspondencia: Jalbout, AF2011INTERNATIONAL JOURNAL OF MODERN PHYSICS BWoS-id: 000302268300033
Scopus-id: 2-s2.0-84855577137
66
12Intramolecular Hydrogen Bonding in Structural Conformers of 2-Amino Methylene Malonaldehyde: AIM and NBO Studies2ᵒ autor: Jalbout A.F., Raissi H., Yoosefian M., Fazli M., et al.2010INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRYWoS-id: 000273909000004
Scopus-id: 2-s2.0-74549161682
4041
13Endo[Metallo] SWNT-Amino Acid Interactions: A Theoretical Study1ᵉʳ autor y autor de correspondencia: Jalbout A.F.2010INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRYWoS-id: 000273909000005
Scopus-id: 2-s2.0-74549210858
44
14Intramolecular Hydrogen Bond in 3-Imino-Propenylamine Isomers: AIM and NBO Studies2ᵒ autor: Jalbout A.F., Raissi H., Abbasi B., Fazli F., et al.2010INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRYWoS-id: 000273909000012
Scopus-id: 2-s2.0-74549130228
89
15[80] Fullerene-Amino Acid Interactions: Theoretical Insights2ᵒ autor: Jalbout, AF, de Leon, A, Basiuk, VA2010INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRYWoS-id: 000273909000017
Scopus-id: 2-s2.0-74549129604
1112
16Metal induced amino acid adsorption on nanotubes2ᵒ autor y autor de correspondencia: Jalbout A.F., Chang C.M.2010Thin Solid FilmsWoS-id: 000274812800032
Scopus-id: 2-s2.0-74249122761
1716
17Glycine as a complexing agent in CdS thin films: Theoretical insightsCoautor: Jalbout A.F., de Leon A., Acosta-Enríquez M.C., Castillo S.J., et al.2010JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000278905000006
Scopus-id: 2-s2.0-77954956196
66
18The role of tautomerization in acetylacetone as a complexing agent: Theoretical perspectivesCoautor: Jalbout, AF, de Leon, A, Acosta-Enriquez, MC, Apolinar-Iribe, A, et al.2010JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000282112600016
Scopus-id: 2-s2.0-77956182625
45
19Nanometric layers of Cadmium Sulphide by CBD and a potential applicationCoautor: Jalbout A.F., Acosta-Enriquez M.C., Apolinar-Iribe A., Alvarez-Ramos M.E., et al.2010WSEAS Transactions on Circuits and SystemsScopus-id: 2-s2.0-77950278815
02
20Metallo[endo]fullerene-Amino Acid interactions. A Theoretical Study1ᵉʳ autor y autor de correspondencia: Jalbout, AF2009JOURNAL OF PHYSICAL CHEMISTRY CWoS-id: 000262324600004
Scopus-id: 2-s2.0-65249125162
65
21The structure and stability of Si@Al12Hn (n=1-14) clustersCoautor: Jalbout A.F., Lu Q.L., Luo Q.Q., Wan J.G., et al.2009EUROPEAN PHYSICAL JOURNAL DWoS-id: 000263417700007
Scopus-id: 2-s2.0-61349100087
99
22Computational Notes on the Analysis of C-59-Zn, C-59-Cd and C-59-Hg FullerenesCoautor: Jalbout A.F., Ibrahim M., El-Haes H., Khalil, AAI, et al.2009JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCEWoS-id: 000263422800009
Scopus-id: 2-s2.0-67149131676
810
23Analysis of C-60 Doping with Gallium, Indium and Phosphorus Using Semiempirical Molecular ModellingCoautor: Jalbout A.F., Ibrahim M., El-Haes H., Hameed A.J., et al.2009JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCEWoS-id: 000263422800010
Scopus-id: 2-s2.0-66249124351
911
24Monte Carlo Simulation on the RKKY Interactions of Co-Doped ZnS and ZnSe Nano-Films1ᵉʳ autor: Jalbout, AF, Contreras-Torres, FF, Roy, AK, de Leon, A2009JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCEWoS-id: 000263422800019
Scopus-id: 2-s2.0-67149108175
11
25First-Order Transition of a Nanoscale Heteropolymer Chain with Lennard-Jones Potential1ᵉʳ autor: Jalbout, AF, de Leon, A2009JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCEWoS-id: 000263422800032
Scopus-id: 2-s2.0-67149093265
00
26Endohedral metallo [80] fullerene interactions with small polar molecules1ᵉʳ autor y autor de correspondencia: Jalbout, AF2009COMPUTATIONAL MATERIALS SCIENCEWoS-id: 000263699600007
Scopus-id: 2-s2.0-58549092345
2122
27Synthesis and QSAR evaluation of 2-(substituted phenyl)-1H-benzimidazoles and [2-(substituted phenyl)-benzimidazol-1-yl]-pyridin-3-yl-methanonesCoautor: Jalbout A., Sharma D., Narasimhan B., Kumar P.2009EUROPEAN JOURNAL OF MEDICINAL CHEMISTRYWoS-id: 000264558600021
Scopus-id: 2-s2.0-60549084724
6777
28The Structures, Thermochemistry, and Electron Affinities of Hydrogenated Silicon Clusters Si6Hn/Si6Hn- (n=3-14)Coautor: Jalbout A.F., Li, XJ, Li, CP, Yang, JC2009INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRYWoS-id: 000264573900012
Scopus-id: 2-s2.0-67049118920
99
29Two-center overlap integrals, three dimensional adaptive integration, and prolate ellipsoidal coordinates2ᵒ autor y autor de correspondencia: Jalbout A.F., Romanowski Z.2009JOURNAL OF MATHEMATICAL CHEMISTRYWoS-id: 000264886100006
Scopus-id: 2-s2.0-64249147818
33
30LiFePO4 as an optimum power cell materialCoautor: Jalbout A.F., Sun L.Q., Cui R.H., Li M.J., et al.2009JOURNAL OF POWER SOURCESWoS-id: 000265317600086
Scopus-id: 2-s2.0-62349113534
3441
31Electron Localization on Molecular Surfaces by Metal Adsorption1ᵉʳ autor: Jalbout, AF, Seligman, TH2009JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCEWoS-id: 000265349300010
Scopus-id: 2-s2.0-66249128595
66
32Complexation of C-60 with 10-Methyl-10H-9-Chalca-10-Aza, Phospha and Arsa-Anthracene. A Theoretical Study1ᵉʳ autor: Jalbout A.F., Hameed A.J.2009JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCEWoS-id: 000265349300018
Scopus-id: 2-s2.0-66249119000
00
33Molecular Structure and Vibrational Assignment of alpha-Chloro Acetylacetone: A Density Functional Theory Study1ᵉʳ autor: Jalbout A.F., Naseri, MA, Fazli M., Raissi H., et al.2009INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRYWoS-id: 000265362000007
Scopus-id: 2-s2.0-67649803430
77
34Intramolecular Hydrogen Bonding in Derivatives of 3-amino-propenethial2ᵒ autor: Jalbout A.F., Raissi H., Fazli M., Yoosefian M., et al.2009INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRYWoS-id: 000265362000008
Scopus-id: 2-s2.0-67649819646
1719
35Hydrogen Bonding in Acetylacetaldehyde: Theoretical Insights from the Theory of Atoms in Molecules2ᵒ autor: Jalbout A.F., Nowroozi A., Roohi H., Khalilinia E., et al.2009INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRYWoS-id: 000265362000009
Scopus-id: 2-s2.0-67649757118
2121
36Intramolecular Hydrogen Bonding in 3-Imino-propenylamine: Theoretical Investigations2ᵒ autor: Jalbout A.F., Raissi H., Farsi H., Abbasi B., et al.2009INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRYWoS-id: 000265362000020
Scopus-id: 2-s2.0-67649807747
33
37Theoretical Investigations of Metal-Halide Salt Encapsulated Nanotubes: A Proposal for Nano-Explosives1ᵉʳ autor y autor de correspondencia: Jalbout, Abraham F.2009JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCEWoS-id: 000265745000009
Scopus-id: 2-s2.0-67449167536
00
38On the Computational Modeling of Charge Conductivity in Biopolymers1ᵉʳ autor y autor de correspondencia: Jalbout, Abraham F.2009JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCEWoS-id: 000265745000039
Scopus-id: 2-s2.0-84962339582
00
39THE ORIGIN OF THE ROTATIONAL BARRIER IN DIMETHYL ETHER AND DIMETHYL SULFIDE. A THEORETICAL STUDY (vol 6, pg 421, 2007)2ᵒ autor y autor de correspondencia: Jalbout, AF, Jimenez-Fabian, I2009J THEOR COMPUT CHEMWoS-id: 000265828200011
Scopus-id: 2-s2.0-65249112136
00
40Removal of COOH, Cd and Pb Using Water Hyacinth: FTIR and Flame Atomic Absorption StudyCoautor: Jalbout A.F., Ibrahim M., Shaltout A.A., Atta D.E., et al.2009J IRAN CHEM SOCWoS-id: 000266731400018
Scopus-id: 2-s2.0-67249087165
3746
41Long-term cyclability of LiFePO4/carbon composite cathode material for lithium-ion battery applicationsCoautor: Jalbout A.F., Liu J., Wang J., Yan X., et al.2009ELECTROCHIMICA ACTAWoS-id: 000268374900008
Scopus-id: 2-s2.0-67649210738
7988
42Metalloporphyrin-Dioxygen Interactions and the Effects of Neutral Axial LigandsCoautor: Jalbout A.F., Sun Y., Hu X., Li H.2009JOURNAL OF PHYSICAL CHEMISTRY CWoS-id: 000268661300040
Scopus-id: 2-s2.0-68749113866
4750
43Correlation analysis of the substituent electronic effects on the Mulliken charge. Resonance and field effects of substituents at para-substituted styrenyl fullereneCoautor: Jalbout A.F., Saleh B.A., Essa A.H., Al-Shawi, SAO2009JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000269095800018
Scopus-id: 2-s2.0-67650735194
1012
44Adsorption of Polar Molecules on Rb/Sr@C-60. A Theoretical Analysis2ᵒ autor y autor de correspondencia: Jalbout A.F., Chang C.M.2009JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCEWoS-id: 000269310500012
Scopus-id: 2-s2.0-70349281508
23
45Communication on the Stability of Crystalline Silver Halide Inside Nanostructures2ᵒ autor y autor de correspondencia: Jalbout A.F., Chang C.M.2009JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCEWoS-id: 000269310500051
Scopus-id: 2-s2.0-70349267588
11
46ANALYSIS OF THE INTRA-MOLECULAR HYDROGEN BOND STRENGTH IN 3-HYDROXY-PROPENETHIAL (HPT)2ᵒ autor: Jalbout A.F., Fazli M., Raissi H., Ghiassi H., et al.2009J THEOR COMPUT CHEMWoS-id: 000269777700001
Scopus-id: 2-s2.0-70349297490
1717
47Novel anode Li-ion secondary batteries derived from nanocrystalline Li 4Ti5O12/polyacene materials1ᵉʳ autor: Jalbout A.F., Xie H.-M., Wang R.-S., Zhang L.-Y., et al.2009International Journal of NanoscienceScopus-id: 2-s2.0-76849114144
00
48The hydroxyacetone (CH3COCH2(OH)) torsional potential and isomerization: A theoretical study1ᵉʳ autor: Jalbout A.F., Contreras-Torres F.F., Adamowicz L.2008INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRYWoS-id: 000251723500010
Scopus-id: 2-s2.0-37149002041
911
49beta-aminoacrolein: An ab initio, AIM and NBO study2ᵒ autor: Jalbout A.F., Jimenez-Fabian I., Moshfeghi E., Raissi H.2008INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRYWoS-id: 000251723500021
Scopus-id: 2-s2.0-37149021561
1816
50Ammonlated solvation of excess electrons on molecular surfaces1ᵉʳ autor y autor de correspondencia: Jalbout, AF2008INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRYWoS-id: 000251774300015
Scopus-id: 2-s2.0-37149054884
33
51Solvation of excess electrons trapped in charge pockets on hydrated molecular surfaces1ᵉʳ autor: Jalbout, AF, Contreras-Torres, F, del Castillo, R2008INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRYWoS-id: 000251774300019
Scopus-id: 2-s2.0-37148999917
22
52Trapping excess electrons in charge pockets on molecular surfaces in an argon matrix1ᵉʳ autor y autor de correspondencia: Jalbout, AF2008INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRYWoS-id: 000251774300020
Scopus-id: 2-s2.0-37149038452
00
53Localized electron traps on extended molecular surfaces1ᵉʳ autor y autor de correspondencia: Jalbout, AF2008INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRYWoS-id: 000251774300021
Scopus-id: 2-s2.0-37149050115
11
54Density functional computational studies on the glucose and glycine Maillard reaction: Formation of the amadori rearrangement products1ᵉʳ autor: Jalbout A.F., Roy A.K., Shipar A.H., Ahmed M.S.2008INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRYWoS-id: 000251774300022
Scopus-id: 2-s2.0-37149049525
1113
55Formation of simple organic molecules in the interstellar medium1ᵉʳ autor: Jalbout, AF, Contreras-Torres, FF, de Leon, A2008INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRYWoS-id: 000251774300023
Scopus-id: 2-s2.0-37149009155
44
56Conformational study on the structures and energies of the weakly bound complexes of AlCl3 with diatomic molecules (vol 5, pg 1007, 2007)2ᵒ autor: Jalbout A.F., Jimenez-Fabian I., Boutalib A.2008CENT EUR J CHEMWoS-id: 000252467300018
Scopus-id: 2-s2.0-38549116612
00
57Low-symmetry structures of Au-32(Z) (Z =+1, 0,-1) clusters1ᵉʳ autor: Jalbout, AF, Contreras-Torres, FF, Perez, LA, Garzon, IL2008JOURNAL OF PHYSICAL CHEMISTRY AWoS-id: 000252483300002
Scopus-id: 2-s2.0-38949200220
5151
58Hydrogen sulfide stabilization of an excess electron on molecular surfaces1ᵉʳ autor y autor de correspondencia: Jalbout, AF2008J THEOR COMPUT CHEMWoS-id: 000252521300011
Scopus-id: 2-s2.0-43949144271
11
59Charge transfer stabilization of an excess electron on a molecular surface1ᵉʳ autor: Jalbout, AF, de Leon, A2008INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRYWoS-id: 000252612900017
Scopus-id: 2-s2.0-38449093860
00
60Chalcanthrene-fullerene complexes: A theoretical study1ᵉʳ autor: Jalbout A.F., Hameed A.J., Jimenez-Fabian I., Ibrahim M., et al.2008JOURNAL OF ORGANOMETALLIC CHEMISTRYWoS-id: 000252686800005
Scopus-id: 2-s2.0-37549049376
2522
61Interaction of cation-encapsulated single-walled carbon nanotubes with small polar molecules2ᵒ autor: Jalbout A.F., Contreras-Torres F.F., Jiménez-Fabian I., Amelines O.F., et al.2008JOURNAL OF PHYSICAL CHEMISTRY CWoS-id: 000253222200076
Scopus-id: 2-s2.0-39849098911
2427
62Interaction of alkaline-earth metals encapsulated in SWNT with simple polar moleculesCoautor y autor de correspondencia: Jalbout, AF, Jimenez-Fabian, I, de Leon, A2008JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000253291600003
Scopus-id: 2-s2.0-38049044917
1114
63Bound state spectra of the 3D rational potential2ᵒ autor: Jalbout A.F., Roy A.K., Proynov E.I.2008INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRYWoS-id: 000253367800002
Scopus-id: 2-s2.0-39049103485
1420
64Fullerene-amino acid interactions. A theoretical study2ᵒ autor: Jalbout, AF, de Leon, A, Basiuk, VA2008CHEMICAL PHYSICS LETTERSWoS-id: 000253767100015
Scopus-id: 2-s2.0-38949117957
5655
65Molecular spectroscopic study of River Nile sediment in the greater Cairo regionCoautor y autor de correspondencia: Jalbout, A, Ibrahim, M, Hameed, AJ2008APPLIED SPECTROSCOPYWoS-id: 000253895700009
Scopus-id: 2-s2.0-41349096034
5468
66Possibility of the nonenzymatic browning (Maillard) reaction in the ISM1ᵉʳ autor: Jalbout A.F., Shipar, MAH2008ORIGINS OF LIFE AND EVOLUTION OF BIOSPHERESWoS-id: 000254114000008
Scopus-id: 2-s2.0-41049092856
55
67Interactions of metal-encapsulated fullerenes with solvents1ᵉʳ autor: Jalbout, AF, Jimenez-Fabian, I, de Leon, A2008INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRYWoS-id: 000254185900007
Scopus-id: 2-s2.0-40749128896
56
68Erratum: ß-aminoacrolein: An ab initio, AIM and NBO study (International Journal of Quantum Chemestry (2008) 108 (383-390))2ᵒ autor: Jalbout A.F., Jimenez-Fabian I., Moshfeghi E., Raissi H.2008INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRYWoS-id: 000254185900023
Scopus-id: 2-s2.0-40749151900
00
69Li@C-60 complexes with amino acids: A theoretical analysis1ᵉʳ autor y autor de correspondencia: Jalbout, AF2008JOURNAL OF ORGANOMETALLIC CHEMISTRYWoS-id: 000254409600027
Scopus-id: 2-s2.0-39649088941
1213
70Bound states of the generalized spiked harmonic oscillator2ᵒ autor y autor de correspondencia: Jalbout A.F., Roy A.K.2008JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000254768400004
Scopus-id: 2-s2.0-40049097943
37
71Structural and theoretical studies of 4,4 '-[1,4-phenylene-bis(azanediyl)]dipent-3-en-2-one: evidence of a pi-delocalized keto-enamineCoautor: Jalbout, AF, Benjelloun, OT, Akkurt, M, Yildirim, SO, et al.2008ArkivocWoS-id: 000254896500010
Scopus-id: 2-s2.0-38349147643
11
72High-rate characteristics of novel anode Li4Ti5O12/polyacene materials for Li-ion secondary batteriesCoautor: Jalbout A.F., Yu H., Zhang X., Yan X., et al.2008ELECTROCHIMICA ACTAWoS-id: 000255137500017
Scopus-id: 2-s2.0-40149102928
9197
73Synthesis, characterization, and computational study of some new organotellurium compounds containing azomethine groupsCoautor: Jalbout A.F., Al-Rubaie A.Z., Al-Masoudi W.A., Al-Jadaan S.A.N., et al.2008HETEROATOM CHEMWoS-id: 000255443500014
Scopus-id: 2-s2.0-42149126675
712
74Guanine tetrad interacting with divalent metal ions (M = Fe2+, Co2+, Ni2+, Cu2+ and Zn2+): A density functional studyCoautor: Jalbout A.F., Meng F., Wang F., Zhao X.2008JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000255446900004
Scopus-id: 2-s2.0-40849130154
56
75A DFT study of bond dissociation energies of several alkyl nitrate and nitrite compoundsCoautor: Jalbout A.F., Li X.-H., Tang Z.-X., Zhang X.-Z., et al.2008JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000255446900012
Scopus-id: 2-s2.0-40849142277
33
76Substitution effects in biphenyl linked fullerene dimer systems1ᵉʳ autor y autor de correspondencia: Jalbout, AF2008JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCEWoS-id: 000255548400008
Scopus-id: 2-s2.0-47149089457
00
77Fullerene as an electron buffer: Charge transfer and solvent interactions2ᵒ autor y autor de correspondencia: Jalbout, AF, Jimenez-Fabian, I2008JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCEWoS-id: 000255548400009
Scopus-id: 2-s2.0-47149118232
35
78Structure and properties of a series of arylselenium [60]fulleropyrrolidine derivatives1ᵉʳ autor: Jalbout A.F., Contreras-Torres F.F., Hameed A.J., Trzaskowski B., et al.2008JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCEWoS-id: 000255548400015
Scopus-id: 2-s2.0-47149117475
00
79Accurate calculation of the bound states of Hellmann potential2ᵒ autor: Jalbout A.F., Roy A.K., Proynov E.I.2008JOURNAL OF MATHEMATICAL CHEMISTRYWoS-id: 000255629500019
Scopus-id: 2-s2.0-43249099116
2327
80Structural isomers of 2-(2,3 and 4-substituted-phenyl)-1,2-benzisoselenazol-3(2H)-one: A theoretical study1ᵉʳ autor: Jalbout A.F., Hameed A.J., Essa A.H.2008JOURNAL OF ORGANOMETALLIC CHEMISTRYWoS-id: 000255898100002
Scopus-id: 2-s2.0-43849100946
33
81The effect of substitution on the intramolecular hydrogen bonding in 3-hydroxy-propenethial2ᵒ autor: Jalbout A.F., Raissi H., Nasseria M.A., Yoosefian M., et al.2008INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRYWoS-id: 000255933500004
Scopus-id: 2-s2.0-43949128112
4144
82Representation of Kohn-Sham free atom eigenfunctions by slater-type orbitals2ᵒ autor y autor de correspondencia: Jalbout A.F., Romanowski Z.2008INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRYWoS-id: 000255933500006
Scopus-id: 2-s2.0-43949096581
00
83A 'Scorpion' like SWNT/carbon sheet molecular trap2ᵒ autor y autor de correspondencia: Jalbout, AF, de Leon, A2008CHEMICAL PHYSICS LETTERSWoS-id: 000255953700039
Scopus-id: 2-s2.0-43549121651
1212
84SWNT-amino acid interactions: A theoretical study2ᵒ autor: Jalbout, AF, de Leon, A, Basiuk, VA2008CHEMICAL PHYSICS LETTERSWoS-id: 000255953700040
Scopus-id: 2-s2.0-43549115871
4453
85Structural, electronic, and magnetic properties of heterofullerene C58Si with odd number of atoms and a near planar tetracoordinate Si atom2ᵒ autor y autor de correspondencia: Jalbout A.F., Liu F.-L.2008JOURNAL OF MOLECULAR GRAPHICS & MODELLINGWoS-id: 000256271600014
Scopus-id: 2-s2.0-43049164458
1212
86Metallo[Endo]fullerene-SWNT interactions: A theoretical study1ᵉʳ autor: Jalbout A.F., Roy A.K., de Leon, A, Jiménez-Fabián I.2008JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000256603900006
Scopus-id: 2-s2.0-43049086622
1211
87The ribose and glycine Maillard reaction in the interstellar medium (ISM): A theoretical study1ᵉʳ autor: Jalbout A.F., Shipar, MDAH2008P INDIAN AS-CHEM SCIWoS-id: 000256670800006
Scopus-id: 2-s2.0-53849086517
55
88Effect of polyacenic semiconductors on the performance of Olivine LiFePO42ᵒ autor: Jalbout A.F., Yang G.L., Xu Y., Yu H.Y., et al.2008ELECTROCHEM SOLID STWoS-id: 000256706100001
Scopus-id: 2-s2.0-45249099325
2222
89Theoretical study of hydrogenated Mg, Ca@ Al12 clusters2ᵒ autor: Jalbout A.F., Lu Q.L., Luo Q.Q., Wan J.G., et al.2008JOURNAL OF CHEMICAL PHYSICSWoS-id: 000256706300046
Scopus-id: 2-s2.0-45149129911
2930
90Structures, stabilities and tautomerizations of uracil and diphosphouracil tautomers (vol 332, pg 152, 2007)1ᵉʳ autor: Jalbout A.F., Trzaskowski B., Xia Y., Li Y., et al.2008CHEMICAL PHYSICSWoS-id: 000256737200034
Scopus-id: 2-s2.0-43949136101
00
91Construction of novel coordination polymers with simple ligands1ᵉʳ autor: Jalbout A.F., Li, XH, Hassan M.R., Hossain, GMG2008TRANSITION METAL CHEMISTRYWoS-id: 000256915300011
Scopus-id: 2-s2.0-45849113952
1515
92Molecular interaction of alkanols with acrylic esters: A spectroscopic study2ᵒ autor y autor de correspondencia: Jalbout A., Dharmalingam K.2008JOURNAL OF MOLECULAR LIQUIDSWoS-id: 000257630400003
Scopus-id: 2-s2.0-46549086858
44
93Theoretical studies of 1-(4-substituted-5-hydroxymethyl-tetrahydro-furan-2-ylmethyl)-5-methyl-1H-pyrimidine-2,4-dione molecule2ᵒ autor y autor de correspondencia: Jalbout A.F., Essa A.H.2008J IRAN CHEM SOCWoS-id: 000258867300020
Scopus-id: 2-s2.0-53249154880
11
94Lithium-silicon Sin Li (n = 2-10) clusters and their anions: Structures, thermochemistry, and electron affinitiesCoautor: Jalbout A.F., Yang J.-C., Lin L., Zhang Y.2008THEORETICAL CHEMISTRY ACCOUNTSWoS-id: 000259043800009
Scopus-id: 2-s2.0-51749098758
2020
95Synthesis and characterization of 2,3,5,6-tetraphenylpyrazine-N,N-dioxide: New nitrone dimer speciesCoautor: Jalboult, AF, Essa A.H., Al-Shamkhani, ZAN, Hameed A.J.2008HeterocyclesWoS-id: 000259720400008
Scopus-id: 2-s2.0-79751487362
11
96Structure and stability of In-X(Z) (X <= 9; Z =-1, 0, 1) clusters. Theoretical insights1ᵉʳ autor: Jalbout A.F., Posada-Amarillas A., Ordonez-Campos, A, Moreno-Armenta G., et al.2008CHEMICAL PHYSICS LETTERSWoS-id: 000259727400011
Scopus-id: 2-s2.0-52949108798
00
97Condensed extended hyper-Wiener index2ᵒ autor: Abraham, FJ, Li, XH, Ji Z.2008CHINESE J STRUC CHEMWoS-id: 000259850200021
Scopus-id: 2-s2.0-77249148330
00
98Toward prediction of binding affinities between the MHC protein and its peptide ligands using quantitative structure-affinity relationship approachCoautor: Jalbout A.F., Tian F., Lv F., Zhou P., et al.2008PROTEIN AND PEPTIDE LETTERSWoS-id: 000260058100001
Scopus-id: 2-s2.0-54249165105
3639
99Metal induced molecular nano-extraction2ᵒ autor y autor de correspondencia: Jalbout A.F., De Leon A.2008THEORETICAL CHEMISTRY ACCOUNTSWoS-id: 000260968400004
Scopus-id: 2-s2.0-56349096249
11
100Stabilization of Excess Electrons in Molecular Charge Pockets on Nano-Surfaces1ᵉʳ autor: Jalbout, AF, Romanowski, Z, Contrerras-Torres, F, de Leon, A2008JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCEWoS-id: 000261210400009
Scopus-id: 2-s2.0-57749107805
00
101Nanoscale Molecular Surface Electron Solvation1ᵉʳ autor y autor de correspondencia: Jalbout, AF2008JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCEWoS-id: 000261210400010
Scopus-id: 2-s2.0-57749112191
11
102Theoretical Modeling of Fullerene-Porphyrine Interactions: Computational Implications2ᵒ autor: Jalbout, AF, Contreras-Torres, FF, Amelines, OF, Basiuk, VA2008JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCEWoS-id: 000261210400021
Scopus-id: 2-s2.0-57749090489
1514
1031-(para-substituted phenyl diazenyl) Pyrrolidinofullerenes. A Theoretical Study2ᵒ autor: Jalbout A.F., Trzaskowski B., Hameed A.J., de Leon A., et al.2008JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCEWoS-id: 000261211500021
Scopus-id: 2-s2.0-57649200120
00
104Structural and Electronic Properties of C60X6 (X = F, Cl, Br and I). A Theoretical StudyCoautor: Jalbout A.F., Ibrahim M., Hameed A.J., El-Haes H.2008JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCEWoS-id: 000261211500028
Scopus-id: 2-s2.0-57649231751
1516
105Molecular Science as an Aspiring Field for Modern Researchers in Nanotechnology1ᵉʳ autor y autor de correspondencia: Jalbout, AF2008JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCEWoS-id: 000261211500036
Scopus-id: 2-s2.0-57649202579
00
106THEORETICAL STUDIES ON BOND DISSOCIATION ENERGIES FOR SOME THIOL COMPOUNDS BY DENSITRY FUNCTIONAL THEORY AND CBS-Q METHODCoautor: Jalbout A.F., Li, XH, Tang, ZX, Zhang, XZ, et al.2008J THEOR COMPUT CHEMWoS-id: 000261393300004
Scopus-id: 2-s2.0-57349180678
33
107Interactions between cation-encapsulated single-walled carbon nanotubes M+@SWNT (M+ = H, Li, Na) and nucleophilesCoautor: Jalbout, AF, Contreras-Torres, FF, Amelines-Sarria, O, Basiuk, EV, et al.2008COMPUTATIONAL MATERIALS SCIENCEWoS-id: 000261731700005
Scopus-id: 2-s2.0-55649087574
1110
108Zigzag SWNT-amino acid interactions: Theoretical insights2ᵒ autor: Jalbout, AF, de Leon, A, Basiuk, VA2008COMPUTATIONAL MATERIALS SCIENCEWoS-id: 000261731700015
Scopus-id: 2-s2.0-55649087354
1921
109Thermodynamic and kinetic approach in density functional theory studies of microscopic structure of GaN(0001) surface in ammonia-rich conditionsCoautor y autor de correspondencia: Jalbout A.F., Krukowski S., Kempisty P.2008JOURNAL OF CHEMICAL PHYSICSWoS-id: 000261896700032
Scopus-id: 2-s2.0-57849138312
1919
110Prebiotic Synthesis of Simple Sugars by an Interstellar Formose Reaction1ᵉʳ autor y autor de correspondencia: Jalbout, AF2008ORIGINS OF LIFE AND EVOLUTION OF BIOSPHERESWoS-id: 000263067600002
Scopus-id: 2-s2.0-56749156407
1515
111Overlap integrals between atomic orbitals with piecewise polynomial radial part evaluated in prolate spheroidal coordinates2ᵒ autor y autor de correspondencia: Jalbout A.F., Romanowski Z.2008ACTA PHYSICA POLONICA BScopus-id: 2-s2.0-43749115716
01
112Analysis of the structural and electronic properties of 1-(5-Hydroxymethyl - 4 -[ 5 - (5-oxo-5-piperidin-1-yl-penta-1,3dienyl)-benzo[1,3]dioxol-2-yl] -tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4dione molecule2ᵒ autor y autor de correspondencia: Jalbout A.F., Essa A.H.2008ECLET QUIMScopus-id: 2-s2.0-44849131907
01
113B3LYP theoretical calculations and structure of 4-[(2-{[(1E)-1-methyl-3- oxobutylidene]amino}ethyl)imino]pentan-2-oneCoautor: Jalbout A.F., Benjelloun O.T., Akkurt M., Yildirim S.Ö., et al.2008ArkivocScopus-id: 2-s2.0-46249123183
03
114Self-assembly of supermolecular species directed by hydrogen bonding and aromatic p-p stacking interactions2ᵒ autor: Jalbout A.F., Lil X.H., Xiang W.D.2008ECLET QUIMScopus-id: 2-s2.0-48249136579
03
115Transformation of real spherical harmonics under rotationsCoautor y autor de correspondencia: Jalbout A.F., Romanowski Z., Krukowski S.2008ACTA PHYSICA POLONICA BScopus-id: 2-s2.0-49749108265
04
116Decomposition of molecular charge speeds up the evaluation of coulomb potential2ᵒ autor y autor de correspondencia: Jalbout A.F., Romanowski Z.2008ACTA PHYSICA POLONICA BScopus-id: 2-s2.0-55249091606
02
117Effect of triplet encapsulated atoms in [60] fullerenes: A theoretical analysis1ᵉʳ autor y autor de correspondencia: Jalbout A.F.2008ECLET QUIMScopus-id: 2-s2.0-55849108482
01
118Theoretical study of the N-NO2 bond dissociation energies for energetic materials with density functional theoryCoautor: Jalbout A.F., Li X.-H., Tang Z.-X., Zhang X.-Z., et al.2008CHINESE J STRUC CHEMScopus-id: 2-s2.0-76349088253
00
119Theoretical study of molecular and electronic structure of 2-Se-(2-methyl-2-propenyl)-1-benzoic acid2ᵒ autor: Jalbout A.F., Hameed A.J., Trzaskowski B.2007INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRYWoS-id: 000242000300015
Scopus-id: 2-s2.0-33751547910
66
120Analytical potential energy functions and theoretical spectroscopic constants for MX/MX- (M=Ge, Sn, Pb; X=O, S, Se, Te, Po) and LuA (A=H, F) systems: Density functional theory calculations1ᵉʳ autor: Jalbout A.F., Li X.-H., Abou-Rachid H.2007INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRYWoS-id: 000242706900002
Scopus-id: 2-s2.0-33846330622
2121
121Electron Attachment to DNA Base Complexes1ᵉʳ autor: Jalbout A.F., Adamowicz L.2007Advances in Quantum ChemistryWoS-id: 000243423200010
Scopus-id: 2-s2.0-33751331662
3514
122Hydration of excess electrons trapped in charge pockets on molecular surfaces1ᵉʳ autor: Jalbout A.F., Del Castillo R., Adamowicz L.2007CHEMICAL PHYSICS LETTERSWoS-id: 000243820100004
Scopus-id: 2-s2.0-33845998593
1616
123Electron affinities, gas phase acidities, and potential energy curves: Benzene1ᵉʳ autor: Jalbout A.F., Trzaskowski B., Chen E.C.M., Chen E.S., et al.2007INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRYWoS-id: 000244134200010
Scopus-id: 2-s2.0-33847742614
44
124Study of the structural and electronic properties of 1-(4, 5 and 6-selenenyl derivatives-3-formyl-phenyl) pyrrolidinofullerenes1ᵉʳ autor: Jalbout A.F., Hameed A.J., Trzaskowski B.2007JOURNAL OF ORGANOMETALLIC CHEMISTRYWoS-id: 000244399600015
Scopus-id: 2-s2.0-33846345687
2529
125Structures, stabilities and tautomerizations of uracil and diphosphouracil tautomers1ᵉʳ autor: Jalbout A.F., Trzaskowski B., Xia Y., Li Y., et al.2007CHEMICAL PHYSICSWoS-id: 000244549500002
Scopus-id: 2-s2.0-33846815079
2831
126Stabilization of an excess electron on molecular surfaces by a pair of HF molecules1ᵉʳ autor y autor de correspondencia: Jalbout A.F.2007INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRYWoS-id: 000244771500029
Scopus-id: 2-s2.0-33947587003
55
127On the chlorides of C26 fullerene. A theoretical studyCoautor: Jalbout A.F., Hong B., Chang Y., Su Z., et al.2007MOLECULAR PHYSICSWoS-id: 000244984100010
Scopus-id: 2-s2.0-33847311297
44
128Solvation of excess electrons trapped in charge pockets on molecular surfaces1ᵉʳ autor y autor de correspondencia: Jalbout A.F.2007MOLECULAR PHYSICSWoS-id: 000244984100012
Scopus-id: 2-s2.0-33847307457
1212
129Density functional computational studies on ribose and glycine Maillard reaction: Formation of the Amadori rearrangement products in aqueous solution1ᵉʳ autor: Jalbout A.F., Shipar Md.A.H., Navarro J.L.2007FOOD CHEMISTRYWoS-id: 000245411500033
Scopus-id: 2-s2.0-33847091648
2224
130Formation of glyoxal in hydroxyacetaldehyde and glycine nonenzymatic browning Maillard reaction: A computational study1ᵉʳ autor: Jalbout A.F., Abul Haider Shipar M.D., Trzaskowski B., Adamowicz L.2007FOOD CHEMISTRYWoS-id: 000245596900015
Scopus-id: 2-s2.0-84962439456
67
131Formation of pyrazines in hydroxyacetaldehyde and glycine nonenzymatic browning Maillard reaction: A computational study1ᵉʳ autor: Jalbout A.F., Shipar Md.A.H.2007FOOD CHEMISTRYWoS-id: 000246024400018
Scopus-id: 2-s2.0-33947504728
1113
132An approach to estimate the energy and strength of the intramolecular hydrogen bond in different conformers of 4-methylamino-3-penten-2-oneCoautor: Jalbout A.F., Raissi H., Moshfeghi E., Hosseini M.S., et al.2007INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRYWoS-id: 000246248400001
Scopus-id: 2-s2.0-34249693696
1818
133Adsorption and diffusion of OH on Mo modified Pt(111) surface: First-principles theory2ᵒ autor: Jalbout A.F., Ji Z., Li J.-Q.2007SOLID STATE COMMUNICATIONSWoS-id: 000246512700006
Scopus-id: 2-s2.0-33947271895
119
134Synthesis of new spiro-[isothiochromene-3,5'-isoxazolidin]-4(1H)-ones2ᵒ autor: Jalbout A.F., Bennani B., Baba B.F., Ben Larbi N., et al.2007JOURNAL OF HETEROCYCLIC CHEMISTRYWoS-id: 000246673900032
Scopus-id: 2-s2.0-38349167522
79
135Experimental and theoretical studies of monoalkylammonium hexafluorosilicate [CH3(CH2)nNH3]2SiF6 (n = 2, 3) and ethylammonium hexafluorosilicate [(C2H5)2NH2]2SiF61ᵉʳ autor: Jalbout A.F., Ouasri A., Jeghnou H., Rhandour A.2007VIBRATIONAL SPECTROSCOPYWoS-id: 000246753100013
Scopus-id: 2-s2.0-34047107875
2526
136Methanol solvation of excess electrons on charge pockets in molecular surfaces1ᵉʳ autor y autor de correspondencia: Jalbout A.F.2007CHEMICAL PHYSICS LETTERSWoS-id: 000246836600009
Scopus-id: 2-s2.0-34247868203
1211
137Electrostatic potential-density relationships in molecules1ᵉʳ autor y autor de correspondencia: Jalbout A.F.2007INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRYWoS-id: 000247155900001
Scopus-id: 2-s2.0-34250802795
22
138The water mediated ring closing in the formose reaction1ᵉʳ autor: Jalbout A.F., Pavanello M., Adamowicz L.2007INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRYWoS-id: 000247155900011
Scopus-id: 2-s2.0-34250818853
33
139Sugar synthesis from a gas-phase formose reaction1ᵉʳ autor: Jalbout A.F., Abrell L., Adamowicz L., Polt R., et al.2007AstrobiologyWoS-id: 000248166900001
Scopus-id: 2-s2.0-34547750352
4642
140Fullerene as an electron buffer: Charge transfer in Li@C602ᵒ autor: Jalbout A.F., Pavanello M., Trzaskowski B., Adamowicz L.2007CHEMICAL PHYSICS LETTERSWoS-id: 000248382300033
Scopus-id: 2-s2.0-34347366200
7378
141Stabilization of an excess electron on molecular surfaces by a pair of water molecules1ᵉʳ autor: Jalbout A.F., Del Castillo R., Adamowicz L.2007MOLECULAR PHYSICSWoS-id: 000248684000002
Scopus-id: 2-s2.0-34250302987
44
142Can protonated glycoaldehyde and methyl formate form in the interstellar medium (ISM)?1ᵉʳ autor y autor de correspondencia: Jalbout A.F.2007MOLECULAR PHYSICSWoS-id: 000248684000004
Scopus-id: 2-s2.0-34250356311
77
143Computational note on thermochemical stability of the HO2-CHClO complex1ᵉʳ autor: Jalbout A.F., Hameed A.J., Trzaskowski B.2007JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000248868600001
Scopus-id: 2-s2.0-34447619354
87
144Density functional computational studies on the intermediate stage of the ribose and glycine Maillard reaction: Formation of deoxyosones in aqueous solution1ᵉʳ autor: Jalbout A.F., Shipar Md.A.H., Contreras-Torres F.F.2007FOOD CHEMISTRYWoS-id: 000249078200003
Scopus-id: 2-s2.0-34447634095
55
145The origin of the rotational barrier in dimethyl ether and dimethyl sulfide. A Theoretical study2ᵒ autor y autor de correspondencia: Jalbout A.F., Jímenez-Fabian2007J THEOR COMPUT CHEMWoS-id: 000249556600002
Scopus-id: 2-s2.0-34548392372
32
146The H2NO potential energy surface explored with high level Ab Initio and density functional theory methods1ᵉʳ autor y autor de correspondencia: Jalbout A.F.2007J THEOR COMPUT CHEMWoS-id: 000249556600013
Scopus-id: 2-s2.0-34548412856
00
147Water cluster hydration of excess electrons trapped in charge pockets on molecular surfaces1ᵉʳ autor: Jalbout A.F., Del Castillo R.2007J THEOR COMPUT CHEMWoS-id: 000249556600018
Scopus-id: 2-s2.0-34548449919
11
148Functionalization of carbon nanocones by free radicals: A theoretical study2ᵒ autor: Jalbout A.F., Trzaskowski B., Adamowicz L.2007CHEMICAL PHYSICS LETTERSWoS-id: 000249600500020
Scopus-id: 2-s2.0-34547736977
1617
149Theoretical study of the influence of ribose on the proton transfer phenomenon of nucleic acid basesCoautor: Jalbout A.F., Zhang L., Li H., Hu X.2007CHEMICAL PHYSICSWoS-id: 000249632400012
Scopus-id: 2-s2.0-34547918388
66
150Crystal structure of tetraaqua-bis(4,4'-bipyridine)-cobalt(II) bis(2,2'-hydrogendithiodibenzoate), [Co(H2O)4(C 10H8N2)2][C14H 9O4S2]2Coautor y autor de correspondencia: Jalbout A.F., Li X.-H., Lu J.-L.2007Z KRIST-NEW CRYST STWoS-id: 000249772600013
Scopus-id: 2-s2.0-42349099444
11
151Crystal structure of catena-(µ-(N,N-dimethylformamide)-N,N- dimethylformamide-µ-(2,2'-dithiodibenzoato)-lead(II)), Pb[(CH 3)2NCHO]2[S2(C6H 4COO)2]Coautor y autor de correspondencia: Jalbout A.F., Li X.-H., Jia S.-C.2007Z KRIST-NEW CRYST STWoS-id: 000249772600014
Scopus-id: 2-s2.0-42349117425
88
152Proton transfer between 3',5'-methyl phosphate uridine and water: A theoretical study1ᵉʳ autor: Jalbout A.F., Zhang L., Li H., Hu X.2007CHEMICAL PHYSICS LETTERSWoS-id: 000250194400005
Scopus-id: 2-s2.0-34548541685
22
153Conformational study on the structures and energies of the weakly bound complexes of AlCl3 with diatomic molecules2ᵒ autor: Jalbout A.F., Jimenez-Fabian I., Boutalib A.2007CENT EUR J CHEMWoS-id: 000250205300007
Scopus-id: 2-s2.0-35448991577
43
154Theoretical modeling of the nonenzymatic solvolysis of CMP-NeuAc in an acidic environmentCoautor: Jalbout A.F., Trzaskowski B., Les A., Adamowicz L., et al.2007JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000250354000015
Scopus-id: 2-s2.0-84962426280
11
155Nanoscale molecular surface electron attachment1ᵉʳ autor: Jalbout A.F., del Castillo R., Adamowicz L.2007CHEMICAL PHYSICS LETTERSWoS-id: 000250367100003
Scopus-id: 2-s2.0-34548441669
77
156Ground and excited states of Li-, Be- through a density-based approach2ᵒ autor y autor de correspondencia: Jalbout A.F., Roy A.K.2007CHEMICAL PHYSICS LETTERSWoS-id: 000250367100053
Scopus-id: 2-s2.0-34548387964
714
157The determination of energy by ab initio methods: Estimation of errors and some improvements1ᵉʳ autor y autor de correspondencia: Jalbout A.F.2007J THEOR COMPUT CHEMWoS-id: 000250864700007
Scopus-id: 2-s2.0-34547261121
33
158QSRR study for gas and liquid chromatographic retention indices of polyhalogenated biphenyls using two 2D descriptors2ᵒ autor: Jalbout A.F., Lu C., Adamowicz L., Wang Y., et al.2007ChromatographiaWoS-id: 000251297300012
Scopus-id: 2-s2.0-35848961697
610
159Synthesis of new potential ligands for metal complex wires: 2-Pyridinmethyl-{4-[(2-pyridinylmethylimino)-methyl]-benzylidene}aminesCoautor: Jalbout A., Hadda T.B., Daoudi M., Aloui S., et al.2007ArkivocWoS-id: 000251574400024
Scopus-id: 2-s2.0-34548807130
01
160Effect of substitution on the intramolecular hydrogen bonding of 4-amino-3-penten-2-one: Ab initio, AIM and NBO studiesCoautor: Jalbout A.F., Raissi H., Bakavol M., Jimenez-Fabian I., et al.2007JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000251745900007
Scopus-id: 2-s2.0-36048986394
1211
161Lewis acid catalyzed stabilization of an excess electron on a molecular surface1ᵉʳ autor: Jalbout A.F., de Leon A.2007JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000251745900013
Scopus-id: 2-s2.0-36048973911
00
162Theoretical, empirical and experimental electron affinities of SF 6: solving the density functional enigma1ᵉʳ autor: Jalbout A.F., de Leon A., Adamowicz L., Trzaskowski B., et al.2007J THEOR COMPUT CHEMWoS-id: 000252615400008
Scopus-id: 2-s2.0-36749007654
55
163On the evaluation of the rigorous electrostatic potential/atomic energy relationship1ᵉʳ autor y autor de correspondencia: Jalbout A.F.2007J THEOR COMPUT CHEMWoS-id: 000252615400009
Scopus-id: 2-s2.0-36749098366
00
164Combined drug design of potential Mycobacterium tuberculosis and HIV-1 inhibitors: 3',4'-di-substituted -4'H-spiro [isothiochromene-3,5'-isoxazol]-4(1H)-oneCoautor: Jalbout A.F., Bennani B., Kerbal A., Daoudi M., et al.2007ArkivocWoS-id: 000252981200003
Scopus-id: 2-s2.0-38149107461
4141
165Zeolite as a host for C60: A theoretical study1ᵉʳ autor y autor de correspondencia: Jalbout A.F.2007CHINESE JOURNAL OF PHYSICSScopus-id: 2-s2.0-34248350811
08
166LixCn, as anode material for lithium ion batteriesCoautor: Jalbout A.F., Xie H., Yu H., Yang G., et al.2007Materials Research Society Symposium ProceedingsScopus-id: 2-s2.0-34250834956
00
167Influence of PtMo structure and composition on the adsorption energies, adsorption site and vibrational frequency of carbon monoxide2ᵒ autor: Jalbout A.F., Ji Z., Li J.-Q.2007CHINESE J STRUC CHEMScopus-id: 2-s2.0-34547834159
00
168Quantum chemical predictions of vibrational mode analysis of germaformaldehyde and related molecules2ᵒ autor: Jalbout A.F., Wang W., Zhou Z., Zhao S., et al.2007J INDIAN CHEM SOCScopus-id: 2-s2.0-34648827362
00
169Covalent anion of Li(HF)3 - system. An ab initio study2ᵒ autor: Jalbout A.F., Lu J., Zhou Z.2007ECLET QUIMScopus-id: 2-s2.0-36249019243
00
170The origin of the exact energy expressions in density functional theory1ᵉʳ autor: Jalbout A.F., Trzaskowski B.2007ChemistryScopus-id: 2-s2.0-38149019203
00
171Geometry predictions, vibrational analysis and IR intensities of XH 3Y (X=C, Si, Ge, Y=F, Cl, Br) calculated by hybrid density functional theory, MP2 and MP4 methods1ᵉʳ autor: Jalbout A.F., Trzaskowski B., Xia Y., Li Y.2007ACTA CHIM SLOVScopus-id: 2-s2.0-38349049130
03
172Structure of methyl 1-oxo-3,5-diphenylcyclohexene-6-carboxylate1ᵉʳ autor: Jalbout A.F., Contreras-Torres F.F., Lobo G.M., Charris J.E.2007MolBankScopus-id: 2-s2.0-50849090642
00
173Synthesis and physical characterization of 4-(anthracen-10-yl)-1- cyclohexyl-3-phenoxyazetidin-2-one as a new trans 2-azetidinoneCoautor y autor de correspondencia: Jalbout A.F., Jarrahpour A., Nazari M.2007MolBankScopus-id: 2-s2.0-50849137832
01
174Stereoselective synthesis of a new cis monocyclic ß-lactam bearing a sugar moiety at its N1 position and its physical characterization2ᵒ autor: Jalbout A.F., Jarrahpour A., Alvand P.2007MolBankScopus-id: 2-s2.0-50949123502
00
175Synthesis and physical characterization of (E)-1-(3-morpholinopropyl)-3- phenoxy-4-styrylazetidine-2-one as the first ß-lactam bearing a morpholino moiety2ᵒ autor: Jalbout A.F., Jarrahpour A., Eskandari M.2007MolBankScopus-id: 2-s2.0-50949128970
02
176Synthesis and physical characterization of 4-(anthracen-10-yl)-1-(4- mthoxyphenyl)-3-phenoxyazetidin-2-one as a new Cis 2-azetidinoneCoautor y autor de correspondencia: Jalbout A.F., Jarrahpour A., Nazari M.2007MolBankScopus-id: 2-s2.0-50949134545
01
177Reaction of CH3O2 and HO2: Ab initio characterization of dimer structure and vibrational mode analysis for reaction mechanismsCoautor: Jalbout A.F., Zhou X.-M., Zhou Z.-Y., Wu Q.-Y., et al.2006INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRYWoS-id: 000233918900016
Scopus-id: 2-s2.0-33645327718
87
178Thermochemical stability of the HO2-HOCl complex1ᵉʳ autor: Jalbout A.F., Li X.H., Solimannejad M.2006CHEMICAL PHYSICS LETTERSWoS-id: 000236097100039
Scopus-id: 2-s2.0-33344473471
2627
179The uracil dimer and trimer covalent anions: An ab initio study1ᵉʳ autor: Jalbout A.F., Adamowicz L.2006CHEMICAL PHYSICS LETTERSWoS-id: 000236097100040
Scopus-id: 2-s2.0-33344472686
88
180The self-reaction of methylperoxy radicals: A theoretical study1ᵉʳ autor: Jalbout A.F., Zhou Z., Li X.H., Shi Y., et al.2006CHEMICAL PHYSICS LETTERSWoS-id: 000236097100041
Scopus-id: 2-s2.0-33344464407
1112
181The electron bonded cytosine-guanine complex1ᵉʳ autor: Jalbout A.F., Adamowicz L.2006CHEMICAL PHYSICS LETTERSWoS-id: 000236097100042
Scopus-id: 2-s2.0-33344457275
22
182Elastic and electronic properties of BeB2 in comparison to superconducting MgB2 and NbB2Coautor: Jalbout A.F., Islam A.K.M.A., Islam F.N., Iqbal M.S., et al.2006SOLID STATE COMMUNICATIONSWoS-id: 000240092300013
Scopus-id: 2-s2.0-33745989549
1414
183Theoretical study on C32 fullerenes and derivatives2ᵒ autor: Jalbout A.F., Chang Y., Zhang J., Su Z., et al.2006CHEMICAL PHYSICS LETTERSWoS-id: 000240392400029
Scopus-id: 2-s2.0-33747754418
1619
184Conformational topology of ribose: A computational study1ᵉʳ autor: Jalbout A.F., Adamowicz L., Ziurys L.M.2006CHEMICAL PHYSICSWoS-id: 000241179500001
Scopus-id: 2-s2.0-33748772239
1111
185Optimized LiFePO4-polyacene cathode material for lithium-ion batteriesCoautor: Jalbout A.F., Xie H.-M., Wang R.-S., Ying J.-R., et al.2006ADVANCED MATERIALSWoS-id: 000241314800022
Scopus-id: 2-s2.0-33749847072
270287
186Molecular dynamics studies of protein-fragment models encapsulated into carbon nanotubes2ᵒ autor: Jalbout A.F., Trzaskowski B., Adamowicz L.2006CHEMICAL PHYSICS LETTERSWoS-id: 000241446900020
Scopus-id: 2-s2.0-33749075773
4546
187Theoretical investigation of the electronic structure of 1-(3,4; 3,5 and 3,6-bis-selenocyanato-phenyl) pyrrolidinofullerenes1ᵉʳ autor: Jalbout A.F., Trzaskowski B., Hameed A.J.2006JOURNAL OF ORGANOMETALLIC CHEMISTRYWoS-id: 000241650500002
Scopus-id: 2-s2.0-33749571383
1921
188Trapping excess electrons in molecular charge pockets on surfaces1ᵉʳ autor: Jalbout A.F., Adamowicz L.2006MOLECULAR PHYSICSWoS-id: 000241662100011
Scopus-id: 2-s2.0-33750546252
1717
189Ab initio molecular orbital investigation of the amine-alanes (CH 3)nH3-nAlNX3 and phosphane-alanes (CH3)nH3-nAlPX3 (X = H, F, and Cl; n = 0-3) complexes1ᵉʳ autor: Jalbout A.F., Boutalib A.2006JOURNAL OF PHYSICAL CHEMISTRY AWoS-id: 000241893900025
Scopus-id: 2-s2.0-33751239429
77
190Prediction of gas chromatographic retention indices of benzene dicarboxylic diesters using novel topological indices2ᵒ autor: Jalbout A.F., Lu C.H., Adamowicz L., Wang Y., et al.2006BULLETIN OF ENVIRONMENTAL CONTAMINATION AND TOXICOLOGYWoS-id: 000243227300002
Scopus-id: 2-s2.0-33846336731
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191Experimental and theoretical investigation of the IR spectra and thermochemistry of four isomers of 2-N,N-dimethylaminecyclohexyl 1-N',N'-dimethylcarbamate1ᵉʳ autor: Jalbout A.F., Li X.-H., Trzaskowski B., Raissi H.2006ECLET QUIMScopus-id: 2-s2.0-33744495508
02
192Semiempirical molecular modelling study of C60 doped with silicon, germanium, and aluminiumCoautor y autor de correspondencia: Jalbout A.F., Ibrahim M., El-Haes H.2006CHINESE JOURNAL OF PHYSICSScopus-id: 2-s2.0-33845525260
019
193Analysis of the structure and vibrational spectra of glucose and fructoseCoautor: Jalbout A.F., Ibrahim M., Alaam M., El-Haes H., et al.2006ECLET QUIMScopus-id: 2-s2.0-33845904973
0296
194The FC(O)OF torsional potential: Thermochemistry and kinetics2ᵒ autor: Jalbout A.F., Zhou Z.Y., Galano A., Solimannejad M., et al.2005JOURNAL OF MOLECULAR STRUCTUREWoS-id: 000227082800001
Scopus-id: 2-s2.0-12844269381
11
195Changes of the Mössbauer effect caused by the excitation of the solitons in the organic molecular crystals at finite temperaturesCoautor y autor de correspondencia: Jalbout A.F., Xiao-Feng P., Huai-Wu Z.2005JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDSWoS-id: 000229893800008
Scopus-id: 2-s2.0-18844417127
2226
196Atomic energies from electrostatic potentials at nuclei: Direct evaluationCoautor: Jalbout A.F., Politzer P., Ma Y., Murray J.S.2005MOLECULAR PHYSICSWoS-id: 000230485700014
Scopus-id: 2-s2.0-27844439556
45
197Influences of temperature and solvent ions in solution on states and properties of deoxyribonucleic acid (DNA)Coautor: Jalbout A.F., Pang X.-F., Feng Y.-Y., Zhang H.-W., et al.2005COMMUN THEOR PHYSScopus-id: 2-s2.0-22144495461
01
198An excess electron trapped in molecular tweezers: Ab initio study1ᵉʳ autor: Jalbout A.F., Morgado C.A., Adamowicz L.2004CHEMICAL PHYSICS LETTERSWoS-id: 000187956600020
Scopus-id: 2-s2.0-1642575322
1918
199An ab initio theoretical prediction: An antiaromatic ring p-dihydrogen bond accompanied by two secondary interactions in a "wheel with a pair of pedals" shaped complex FH?C4H4?HFCoautor: Jalbout A.F., Wu D., Li Z.-R., Hao X.-Y., et al.2004JOURNAL OF CHEMICAL PHYSICSWoS-id: 000188081000026
Scopus-id: 2-s2.0-1142291793
1513
200On the 1,3-dipolar cycloaddition reactions of indenone with N-N-C dipoles: Density functional theory calculations1ᵉʳ autor: Jalbout A.F., Jiang Z., Abou-Rachid H., Najat Benkaddour N.2004SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPYWoS-id: 000188890200016
Scopus-id: 2-s2.0-1642477920
1213
201Theoretical study on the reaction of the 1S+ ground state of ScS+ with oxygen-transfer reagent: ScS+ + CO2 ? ScO+ + COS in the gas phase2ᵒ autor: Jalbout A.F., Xie X.-G., Cao H.2004CHEMICAL PHYSICS LETTERSWoS-id: 000189244300019
Scopus-id: 2-s2.0-1242316205
1515
202Ab initio studies of MHen +(M = Be, Mg; n = 1-4) complexesCoautor y autor de correspondencia: Jalbout A.F., Bu X., Zhong C.2004CHEMICAL PHYSICS LETTERSWoS-id: 000220620200038
Scopus-id: 2-s2.0-1642269038
1616
203Analytical potential energy function and vibrational spectra of OPSCN: Density functional theory calculations1ᵉʳ autor: Jalbout A.F., Chang C.M., Solimannejad M.2004JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000221351100019
Scopus-id: 2-s2.0-1942500892
11
204Rate coefficient and mechanism of the gas phase OPSCN?OPNCS isomerization: A density functional theory study1ᵉʳ autor: Jalbout A.F., Chang C.M., Galano A., Solimannejad M.2004JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000221351100020
Scopus-id: 2-s2.0-1942468604
11
205Hyperconjugative interactions in vinylic systems: The problem of the barrier to methyl rotation in acetone1ᵉʳ autor: Jalbout A.F., Basso E.A., Pontes R.M., Das D.2004JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000221420900024
Scopus-id: 2-s2.0-2142699615
1213
206Gaussian-based computations in molecular science1ᵉʳ autor: Jalbout A.F., Nazari F., Turker L.2004JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000221491100001
Scopus-id: 2-s2.0-0842287852
4831
207The HCOH torsional potential: Ab initio study1ᵉʳ autor: Jalbout A.F., Solimannejad M., Abou-Rachid H.2004JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000221491100002
Scopus-id: 2-s2.0-0842266180
00
208Quantum chemical predictions of structures and vibrational spectra of formaldehyde and related molecules1ᵉʳ autor: Jalbout A.F., El-Nahas A.M.2004JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000221491100017
Scopus-id: 2-s2.0-0842287835
1416
209The octanol-water partition coefficient: The effect of electronic interactions1ᵉʳ autor: Jalbout A.F., Li X.2004JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000221491100032
Scopus-id: 2-s2.0-0842330988
00
210A simple rule for determining ferromagnetism based on direct exchange energies1ᵉʳ autor: Jalbout A.F., Chang C.M.2004JOURNAL OF MAGNETISM AND MAGNETIC MATERIALSWoS-id: 000222530100009
Scopus-id: 2-s2.0-2942652701
00
211Quantum mechanical and Rice-Ramsperger-Kassel-Marcus investigation of the thermal unimolecular decomposition of CF 2BrO and CF 2ClO radicalsCoautor y autor de correspondencia: Jalbout A.F., Drougas E., Kosmas A.M.2004JOURNAL OF PHYSICAL CHEMISTRY AWoS-id: 000222639700009
Scopus-id: 2-s2.0-3242892628
1011
212Exact solutions for the position-dependent effective mass schrödinger equation using the analogy with a PT-symmetric invariant anharmonic potentialCoautor y autor de correspondencia: Jalbout A.F., Moayedi S.K., Solimannejad M.2004INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRYWoS-id: 000223691600003
Scopus-id: 2-s2.0-4544256925
33
213Conductivity properties of the proton transfer exposed in externally applied fields in hydrogen-bonded systems2ᵒ autor y autor de correspondencia: Jalbout A.F., Pang X.-F.2004PHYSICS LETTERS AWoS-id: 000223962300017
Scopus-id: 2-s2.0-31744441576
1416
214Interaction of the uracil dipole-bound electron with closed-shell systems (Ar and N2)1ᵉʳ autor: Jalbout A.F., Pichugin K.Y., Adamowicz L.2004THEORETICAL CHEMISTRY ACCOUNTSScopus-id: 2-s2.0-2442564334
04
215Metamorphosis of polyhedrons 2. Octahedron to dodecahedron1ᵉʳ autor y autor de correspondencia: Jalbout A.F.2003JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000180594000011
Scopus-id: 2-s2.0-0037462316
33
216Some approximate atomic and molecular energy formulas2ᵒ autor: Jalbout A.F., Politzer P., Jin P.2003COLLECT CZECH CHEM CWoS-id: 000180883800005
Scopus-id: 2-s2.0-0037257693
66
217Definition and evaluation of a new atomic parameter1ᵉʳ autor: Jalbout A.F., Solimannejad M.2003JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000181523700011
Scopus-id: 2-s2.0-0037418675
22
218On the valence Wiener index for unsaturated hydrocarbons2ᵒ autor y autor de correspondencia: Jalbout A.F., Li X.2003JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000182544100015
Scopus-id: 2-s2.0-0038372742
00
219Iso-nitrous acid complexes: A bond order analysis1ᵉʳ autor: Jalbout A.F., Solimannejad M.2003JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000183065100008
Scopus-id: 2-s2.0-0038137455
11
220Reliability of gaussian based ab initio methods in the calculations of HClO and HOCl decomposition channels1ᵉʳ autor: Jalbout A.F., Solimannejad M.2003JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000183065100009
Scopus-id: 2-s2.0-0038137445
22
221Isomerism of the anion of the indole-water dimer. Ab initio study1ᵉʳ autor: Jalbout A.F., Hall C.S., Adamowicz L.2003JOURNAL OF CHEMICAL PHYSICSWoS-id: 000183124300020
Scopus-id: 2-s2.0-0038203626
33
222G2 molecular orbital investigation of torsional barriers in H2Al=XHCH3 and H2Al=YCH3 (X = N, P, and As; Y = O, S, and Se) systems1ᵉʳ autor: Jalbout A.F., Boutalib A.2003JOURNAL OF PHYSICAL CHEMISTRY AWoS-id: 000184084200017
Scopus-id: 2-s2.0-0041841401
00
223An excess electron trapped between thymine and adenine. Ab initio study1ᵉʳ autor: Jalbout A.F., Pichugin K.Y., Adamowicz L.2003CHEMICAL PHYSICS LETTERSWoS-id: 000184565900040
Scopus-id: 2-s2.0-0141785169
33
224The role of electronic publication in molecular sciences. Painful beginnings or long-lived tenure?1ᵉʳ autor: Jalbout A.F., Jung B.2003JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000184895300001
Scopus-id: 2-s2.0-0041973376
00
225Does Mg4 exist? A combined Gaussian, complete basis set and density functional theory study1ᵉʳ autor y autor de correspondencia: Jalbout A.F.2003JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000184895300002
Scopus-id: 2-s2.0-0042474000
33
226Electron-conformational study for the structure-hallucinogenic activity relationships of phenylalkylaminesCoautor: Jalbout A.F., Altun A., Golcuk K., Kumru M.2003BIOORGANIC & MEDICINAL CHEMISTRYWoS-id: 000185037900002
Scopus-id: 2-s2.0-0042591283
1213
227Bond order weighted hyper-Wiener index2ᵒ autor y autor de correspondencia: Jalbout A.F., Li X.2003JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000185380800013
Scopus-id: 2-s2.0-0041375600
1414
228The H2CO potential energy surface: Advanced ab initio and density functional theory study1ᵉʳ autor: Jalbout A.F., Chang C.M.2003JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000185380800014
Scopus-id: 2-s2.0-0041375534
1011
229Uracil-adenine dimer connected by an excess electron2ᵒ autor: Jalbout A.F., Stepanian S.G., Hall C.S., Adamowicz L.2003JOURNAL OF PHYSICAL CHEMISTRY AWoS-id: 000185609500032
Scopus-id: 2-s2.0-0142103677
99
230An excess electron connects uracil to glycine: Ab-initio study1ᵉʳ autor: Jalbout A.F., Pichugin K.Y., Adamowicz L.2003EUROPEAN PHYSICAL JOURNAL DWoS-id: 000185810800009
Scopus-id: 2-s2.0-0142153112
77
231Thermochemical stability of the HO2-HClO4 complex1ᵉʳ autor: Jalbout A.F., Solimannaejad M., Labanowski J.K.2003CHEMICAL PHYSICS LETTERSWoS-id: 000185876500018
Scopus-id: 2-s2.0-0141503961
1820
232The carbon pentamer dication C52+: Toward thermochemical stability2ᵒ autor y autor de correspondencia: Jalbout A.F., Hogreve H.2003JOURNAL OF CHEMICAL PHYSICSWoS-id: 000185988900010
Scopus-id: 2-s2.0-0344899042
44
233Topological index-quantum chemical bond order relations1ᵉʳ autor: Jalbout A.F., Li X.2003JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000186161100001
Scopus-id: 2-s2.0-0347384209
23
234Can dihydrogen bonded (DHB) complexes exist?: A DFT investigation1ᵉʳ autor: Jalbout A.F., Solimannejad M.2003JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000186161100002
Scopus-id: 2-s2.0-0346123194
11
235Analysis of gaussian torsional potentials: The HCSH case1ᵉʳ autor: Jalbout A.F., Solimannejadd M., Abou-Rachid H.2003JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000186440600001
Scopus-id: 2-s2.0-0345602144
11
236Buckministerfullerene (C60) encapsulated ground state atoms: Semi-empirical approximate effective volume relations1ᵉʳ autor: Jalbout A.F., Türker L.2003JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000186440600002
Scopus-id: 2-s2.0-0345170082
00
237On the NH3+HCO3H?HCOOH+H3NO mechanism: A density functional theory study1ᵉʳ autor: Jalbout A.F., Xie X.-G.2003JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000186515100002
Scopus-id: 2-s2.0-0842327777
00
238Density functional theory analysis of CaRgn + complexes: (Rg = He, Ne, Ar; N = 1 -4 )1ᵉʳ autor: Jalbout A.F., Solimannejad M.2003JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000186515100003
Scopus-id: 2-s2.0-0842284557
1112
239Numerical studies of vertically propagating acoustic and magnetoacoustic waves in an isothermal atmosphere (III)1ᵉʳ autor: Jalbout A.F., Alkahby H., Talmadge A., Frempong-Mireku P.2003JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000186515100005
Scopus-id: 2-s2.0-0842327774
00
240Bond order weighted Wiener numbers1ᵉʳ autor: Jalbout A.F., Li X.2003JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000186954200002
Scopus-id: 2-s2.0-0345305301
23
241The position-dependent effective mass Schrodinger equation: A quasi-exact solution2ᵒ autor: Jalbout A.F., Moayedi S.K., Solimannejad M.2003JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000186954200003
Scopus-id: 2-s2.0-0344874130
910
242Anti-HIV-1 inhibitors of various molecules using principles of connectivity1ᵉʳ autor: Jalbout A.F., Li X.2003JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000186954200004
Scopus-id: 2-s2.0-0344010995
25
243Vibrational mode analysis for the multi-channel reaction of O2 + CH3SCoautor y autor de correspondencia: Jalbout A.F., Zhang H.-T., Zhou Z.-Y.2003JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000186954200010
Scopus-id: 2-s2.0-0345305294
1717
244Definition and application of a novel valence molecular connectivity index2ᵒ autor: Jalbout A.F., Li X.H., Solimannejad M.2003JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000186954200011
Scopus-id: 2-s2.0-0344442273
2530
245Molecular connectivity relationships to electrostatic potential derived parameters1ᵉʳ autor: Jalbout A.F., Zhou Z.Y., Li X., Solimannejad M., et al.2003JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000187226300002
Scopus-id: 2-s2.0-17344388990
78
246A unified model for predicting the mononuclear first- to fifth-order and the polynuclear hydrolysis constants of metal cations2ᵒ autor: Jalbout A.F., Chang C.M., Wang M.K., Lin C.2003JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000187226300003
Scopus-id: 2-s2.0-17344378386
46
247Novel descriptors based on density functional theory for predicting divalent metal ions adsorbed onto silica - Disiloxane cluster model study2ᵒ autor: Jalbout A.F., Chang C.M., Lin C.2003JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000187226300004
Scopus-id: 2-s2.0-4444226846
57
248Theoretical analysis of water coverage on MgO(001) surfaces with defects and without F, V and P type vacanciesCoautor: Jalbout A.F., Almeida A.L., Martins J.B.L., Longo E., et al.2003JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000187226300010
Scopus-id: 2-s2.0-17344388753
77
249Theoretical and experimental vibrational analysis of [C6H 5NH3]2SiF61ᵉʳ autor: Jalbout A.F., Jiang Z.-Y., Ouasri A., Jeghnou H., et al.2003VIBRATIONAL SPECTROSCOPYWoS-id: 000187359900003
Scopus-id: 2-s2.0-0344444303
2931
250Quantum Mechanical Studies of CH 3CLO 3 Isomers and the CH 3O 2+CLO Reaction Pathways2ᵒ autor: Jalbout A.F., Drougas E., Kosmas A.M.2003JOURNAL OF PHYSICAL CHEMISTRY AWoS-id: 000187446900016
Scopus-id: 2-s2.0-0346279842
2927
251Theoretical calculations of the molar volumes of atoms and molecules1ᵉʳ autor y autor de correspondencia: Jalbout A.F.2003JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMScopus-id: 2-s2.0-0037466279
11
252Quantitative analysis of (styrene/acrylonitrile/methyl methacrylate) co-polymer systems by infrared resonance spectroscopy1ᵉʳ autor: Jalbout A.F., Jiang T., Fengqi L., Ding C., et al.2002SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPYWoS-id: 000173648300012
Scopus-id: 2-s2.0-0036006921
33
253High level ab initio and density functional theory calculations of the dissociation energies, ionization energies, geometrical variations, and vibrational modes of ground and excited CO2, CO2 +, and CO2 2+1ᵉʳ autor y autor de correspondencia: Jalbout A.F.2002INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRYWoS-id: 000173734000004
Scopus-id: 2-s2.0-0037138636
1715
254An excess electron suspended between two polar molecules. Ab initio study of uracil · H2O and uracil · HF anions1ᵉʳ autor: Jalbout A.F., Hall-Black C.S., Adamowicz L.2002CHEMICAL PHYSICS LETTERSWoS-id: 000174628600020
Scopus-id: 2-s2.0-0037022950
3232
255Anion-aromatic molecule complex. Ab initio study of the benzene·O2 anion1ᵉʳ autor: Jalbout A.F., Adamowicz L.2002JOURNAL OF CHEMICAL PHYSICSWoS-id: 000175744600015
Scopus-id: 2-s2.0-0037042603
1924
256On the direct exchange energy in Co2 and Co2+ doped lattices1ᵉʳ autor: Jalbout A.F., Chen H.2002JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000176287600016
Scopus-id: 2-s2.0-0037123864
33
257Dynamic mechanical analysis of the SAN co-polymer and the SBR latex co-mixture1ᵉʳ autor: Jalbout A.F., Jiang T., Fengqi L., Jalbout F.N.2002SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPYWoS-id: 000177181100002
Scopus-id: 2-s2.0-0035995924
11
258Monte Carlo simulation on the indirect exchange interactions of Co-doped ZnO film1ᵉʳ autor: Jalbout A.F., Chen H., Whittenburg S.L.2002APPLIED PHYSICS LETTERSWoS-id: 000177911200025
Scopus-id: 2-s2.0-79956006363
8996
259The isomerization of C1OOC1: High level ab initio and density functional theory analysis1ᵉʳ autor y autor de correspondencia: Jalbout A.F.2002JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000178089600001
Scopus-id: 2-s2.0-0037063786
99
260Refractive indices for various co-polymer mixtures of styrene, acrylonitrile, and methyl methacrylate1ᵉʳ autor: Jalbout A.F., Jiang T.2002SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPYWoS-id: 000178161200013
Scopus-id: 2-s2.0-0036771868
12
261Information theory approach to the isothermal-isobaric ensemble. 1. Monte Carlo simulations with the hard-sphere and square potentials1ᵉʳ autor y autor de correspondencia: Jalbout A.F.2002JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000178509100004
Scopus-id: 2-s2.0-0037131107
55
262On the O(1D) + HX reactions (X = Cl, Br): A density functional theory analysis1ᵉʳ autor y autor de correspondencia: Jalbout A.F.2002CHEMICAL PHYSICS LETTERSWoS-id: 000178835800015
Scopus-id: 2-s2.0-0037190989
66
263H-atom product channels in the photodissociation of CH3F and CH3Cl: A density functional theory and high level ab initio study1ᵉʳ autor y autor de correspondencia: Jalbout A.F2002JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000179339500002
Scopus-id: 2-s2.0-0037111819
66
264MgO internuclear interactions. A theoretical study1ᵉʳ autor y autor de correspondencia: Jalbout A.F.2002JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000179339500008
Scopus-id: 2-s2.0-0037112170
44
265On the thermochemical stability of the sextet CO2 anion: Results from density functional theory1ᵉʳ autor y autor de correspondencia: Jalbout A.F.2002MOLECULAR PHYSICSWoS-id: 000179697700006
Scopus-id: 2-s2.0-0037059188
11
266Metamorphosis of polyhedrons 1. Tetrahedron to octahedron1ᵉʳ autor y autor de correspondencia: Jalbout A.F.2002JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000179773300010
Scopus-id: 2-s2.0-0037049330
33
267Investigation of nonlinear optical properties of ion implanted and high pulse laser deposition SiC:Ge waveguideCoautor: Jalbout A., Darwish A.M., Elsamadecy A., Koplitz B., et al.2002OPTICS, PHOTONICS, AND DIGITAL TECHNOLOGIES FOR IMAGING APPLICATIONS VIIIWoS-id: 000179999400002
Scopus-id: 2-s2.0-0036984079
00
268A comparative coupled cluster and density functional theory study of the HOCl ? HClO transition state1ᵉʳ autor y autor de correspondencia: Jalbout A.F.2002MOLECULAR PHYSICSWoS-id: 000180297200002
Scopus-id: 2-s2.0-0037147532
44
269Effect of the radiative damping on magnetohydrodynamic waves in an isothermal mediumCoautor y autor de correspondencia: Jalbout A., Alkahby H., Talmadge A.2002International Journal of Mathematics and Mathematical SciencesScopus-id: 2-s2.0-0010296184
01
270On the H2NO (2B1) ? H2 (1?g) + NO (2II) mechanism. A combined density functional theory and ab initio study1ᵉʳ autor y autor de correspondencia: Jalbout A.F.2002POL J CHEMScopus-id: 2-s2.0-0036579210
06
271A technical note on the semi-empirical treatment of trans-3,6-dimethoxy-1,2,4-trioxane1ᵉʳ autor y autor de correspondencia: Jalbout A.F.2002ACTA CHIM SLOVScopus-id: 2-s2.0-0036747954
01
272New paired electrosynthesis route for glyoxalic acid1ᵉʳ autor: Jalbout A.F., Zhang S.2002ACTA CHIM SLOVScopus-id: 2-s2.0-0036966003
013
273A Bayesian temperature dependent fluctuation expression in canonical ensembles1ᵉʳ autor y autor de correspondencia: Jalbout A.F.2002ACTA CHIM SLOVScopus-id: 2-s2.0-0036968821
00
274Erratum: Advanced ab initio and hybrid density functional theory evaluation of the atomization energies, bond dissociation pathways, and heats of formation of the two isomers of HClO4 (Journal of Molecular Structure: THEOCHEM (2001) 546 (89-1ᵉʳ autor: Jalbout A.F., Jalbout F.N., Alkahby H.Y.2002JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMScopus-id: 2-s2.0-0037063791
00
275ClOOCl: Theoretical insights into its torsional potentials1ᵉʳ autor y autor de correspondencia: Jalbout A.F.2002JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMScopus-id: 2-s2.0-0037072719
66
276A communication on Mg2 thermochemical stability1ᵉʳ autor y autor de correspondencia: Jalbout A.F.2002JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMScopus-id: 2-s2.0-0037119099
11
277Part II. Ionization energies, hardness, softness, and absolute electronegativity of heteronuclear and homonuclear diatomic molecules by the CBS-QB3 and G3B3 methods1ᵉʳ autor: Jalbout A.F., Darwish A.M., Alkahby H.Y.2002JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMScopus-id: 2-s2.0-0037123805
1012
278On the HNO?HON isomerization mechanism: High level ab initio and density functional theory study1ᵉʳ autor: Jalbout A.F., Darwish A.M., Alkahby H.Y.2002JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMScopus-id: 2-s2.0-0037123844
89
279The CH2OH+ ? CHO+ + H2 decomposition mechanism: A G3, G3B3, CBS-Q, CBS-QB3 versus pure DFT comparison: Interesting variations1ᵉʳ autor y autor de correspondencia: Jalbout A.F.2002JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMScopus-id: 2-s2.0-0037131072
06
280Part I. High level ab initio approximations of the atomization energies of Cn (n = 2-6) neutral carbon clusters1ᵉʳ autor: Jalbout A.F., Fernandez S., Chen H.2002JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMScopus-id: 2-s2.0-0037177717
08
281Part II. Gaussian, complete basis set and density functional theory stability evaluation of the singlet states of Cn (n = 1-6): Energy differences, HOMO-LUMO band gaps, and aromaticity1ᵉʳ autor: Jalbout A.F., Fernandez S.2002JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMScopus-id: 2-s2.0-0037177755
1725
282Cluster size effects upon stability of adenine-methanolanions. Theoretical study1ᵉʳ autor: Jalbout A.F., Adamowicz L.2002JOURNAL OF MOLECULAR STRUCTUREScopus-id: 2-s2.0-0037181073
811
283Physical characterization of C3B2 isomers: A combined density functional theory and advanced ab initio analysis1ᵉʳ autor y autor de correspondencia: Jalbout A.F.2002JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMScopus-id: 2-s2.0-0037183829
11
284On the direct exchange energy in 2. Co2+ doped ZnCo lattices1ᵉʳ autor y autor de correspondencia: Jalbout A.F.2002JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMScopus-id: 2-s2.0-0037195831
22
285On the stability of HNOH rotation. A theoretical analysis1ᵉʳ autor: Jalbout A.F., Sawaya B.E.2002JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMScopus-id: 2-s2.0-0037195880
55
286DFT/B3-LYP and ab initio analysis of the ozone potential energy surface1ᵉʳ autor y autor de correspondencia: Jalbout A.F2002JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMScopus-id: 2-s2.0-0037206414
57
287Information theory approach to the isothermal-isobaric ensemble. 2: Monte Carlo simulations with Lennard-Jones potential1ᵉʳ autor y autor de correspondencia: Jalbout A.F.2002JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMScopus-id: 2-s2.0-0037206438
14
288Dipole-bound anions of adenine-water clusters. ab initio study1ᵉʳ autor: Jalbout A.F., Adamowicz L.2001JOURNAL OF PHYSICAL CHEMISTRY AWoS-id: 000166944000011
Scopus-id: 2-s2.0-0035250117
4550
289Dipole-bound anions to adenine-imidazole complex. Ab initio study1ᵉʳ autor: Jalbout A.F., Adamowicz L.2001JOURNAL OF PHYSICAL CHEMISTRY AWoS-id: 000166944000016
Scopus-id: 2-s2.0-0035250148
1820
290Vibrational analysis and ionization potentials of XCH3 ( X=Be,Mg,Ca ) calculated by hybrid density functional theory and high order ab initio methods1ᵉʳ autor y autor de correspondencia: Jalbout A.F.2001CHEMICAL PHYSICS LETTERSWoS-id: 000169373800027
Scopus-id: 2-s2.0-0000306539
2222
291Anions of the hydrogen-bonded guanine-cytosine dimer - Theoretical study2ᵒ autor: Jalbout A.F., Smets J., Adamowicz L.2001CHEMICAL PHYSICS LETTERSWoS-id: 000169979400015
Scopus-id: 2-s2.0-0000125074
3939
292Advanced ab initio and hybrid density functional theory evaluation of the atomization energies, bond dissociation pathways, and heats of formation of the two isomers of HClO41ᵉʳ autor: Jalbout A.F., Jalbout F.N., Alkahby H.Y.2001JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000170092800012
Scopus-id: 2-s2.0-0035898471
118
293The O(3P) + HBr(?1S +) ? OH(?2?) + Br(2P) reaction. A density functional theory study1ᵉʳ autor y autor de correspondencia: Jalbout A.F.2001JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000171434200011
Scopus-id: 2-s2.0-0035959202
910
294Erratum: Potential energy surface for H2Si2 isomers explored with complete basis set ab initio method (Journal of Molecular Structure: Theochem (1999) 459 (221-228) PII: S0166128098003030)1ᵉʳ autor: Jalbout A.F., Swihart M.T., Jursic B.S.2001JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000171434200024
Scopus-id: 2-s2.0-0035959218
43
295Calculation of electron affinities for small homonuclear and heteronuclear diatiomic molecules with the CBS-QB3 and G3B3 method: Basis set effects, and need for further development1ᵉʳ autor: Jalbout A.F., Jalbout F.N., Alkahby H.Y.2001JOURNAL OF MOLECULAR STRUCTURE-THEOCHEMWoS-id: 000171703500015
Scopus-id: 2-s2.0-0035900234
66
296Anions of the hydrogen-bonded thymine dimer: Ab initio study1ᵉʳ autor: Jalbout A.F., Smets J., Adamowicz L.2001CHEMICAL PHYSICSWoS-id: 000171827000004
Scopus-id: 2-s2.0-0035513359
1111
297Investigation of the photosensitivity of LiNbO3:BaFeO3 crystalCoautor: Jalbout A., Darwish A.M., Koplitz B., Jackson E., et al.2001OPTICS, PHOTONICS, AND DIGITAL TECHNOLOGIES FOR IMAGING APPLICATIONS VIIIWoS-id: 000175310100007
Scopus-id: 2-s2.0-0035761374
12
298Dipole-bound anion of 1,3-butanediol. Ab initio and Rydberg electron transfer spectroscopy studyCoautor: Jalbout A.F., Carles S., Desfrançois C., Schermann J.P., et al.2001CHEMICAL PHYSICS LETTERSScopus-id: 2-s2.0-0042879774
913
299Cytosine anions: Ab initio study2ᵒ autor: Jalbout A.F., Smith D.M.A, Smets J., Adamowicz L.2000CHEMICAL PHYSICSScopus-id: 2-s2.0-0034350345
2933
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1Ruptura de simetrías en superficies molecularesTesis de MaestríaABRAHAM FOUAD JALBOUT; Castillo Vázquez, Roxana Mitzayé del; 2010
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