| 1 | Relaxation and Photochemistry of Nitroaromatic Compounds: Intersystem Crossing through 1pp* to Higher 3pp* States, and NO? Dissociation in 9-Nitroanthracene-A Theoretical Study | Coautor: Hernández-Trujillo, J, Jara-Cortés, J, Resendiz-Pérez, A, Peón, J | 2025 | JOURNAL OF PHYSICAL CHEMISTRY A | WoS-id: 001453748900001
Scopus-id: 2-s2.0-105003026995
| 0 | 0 |
| 2 | Intra and interatomic energy contributions in the photophysical relaxation of small aromatic molecules | Coautor: Hernández-Trujillo, J, Jara-Cortés, J, Pérez-Pimienta, JA, Park, JW | 2024 | Chemphotochem | WoS-id: 001169549500001
Scopus-id: 2-s2.0-85185694592
| 2 | 2 |
| 3 | A Dynamical Density Field That Shows the Localizability of Electrons: The Exchange-Correlation Ehrenfest Force | Coautor: Hernández-Trujillo, J, Mortera-Carbonell, AJ, Francisco, E, Pendás, AM | 2024 | JOURNAL OF CHEMICAL THEORY AND COMPUTATION | WoS-id: 001353267900001
Scopus-id: 2-s2.0-85209145782
| 1 | 1 |
| 4 | Quantum dynamics of the internal motion of biphenyl-based molecular junctions | 2ᵒ autor y autor de correspondencia: Hernández-Trujillo J., Leal-Sánchez E. | 2023 | JOURNAL OF CHEMICAL PHYSICS | WoS-id: 001041174500007
Scopus-id: 2-s2.0-85166151902
| 1 | 1 |
| 5 | Primary Photophysics of Nicotinamide Chromophores in Their Oxidized and Reduced Forms | Coautor: Hernandez-Trujillo, Jesus, Reza, Mariana M., Duran-Hernandez, Jesus, Gonzalez-Cano, Beatriz, et al. | 2023 | JOURNAL OF PHYSICAL CHEMISTRY B | WoS-id: 001070263400001
Scopus-id: 2-s2.0-85173556423
| 3 | 2 |
| 6 | The Ehrenfest force field: A perspective based on electron density functions | Coautor: Hernández-Trujillo, J, Mortera-Carbonell, AJ, Francisco, E, Pendás, AM | 2023 | JOURNAL OF CHEMICAL PHYSICS | WoS-id: 001126711900010
Scopus-id: 2-s2.0-85180384995
| 4 | 4 |
| 7 | Control of Molecular Conformation and Crystal Packing of Biphenyl Derivatives | 2ᵒ autor y autor de correspondencia: Hernandez-Trujillo, Jesus, Landeros-Rivera, Bruno | 2022 | CHEMPLUSCHEM | WoS-id: 000753967900012
Scopus-id: 2-s2.0-85123230799
| 15 | 16 |
| 8 | A fast approximate extension of the interacting quantum atoms energy decomposition to excited states | Coautor y autor de correspondencia: Hernández-Trujillo J., Jara-Cortés J., Matta C.F. | 2022 | JOURNAL OF COMPUTATIONAL CHEMISTRY | WoS-id: 000787275800001
Scopus-id: 2-s2.0-85128785524
| 4 | 4 |
| 9 | Non-Covalent Interactions in the Biphenyl Crystal: Is the Planar Conformer a Transition State? | Coautor: Hernandez-Trujillo, Jesus, Landeros-Rivera, Bruno, JANCIK, VOJTECH, Moreno-Esparza, Rafael, et al. | 2021 | CHEMISTRY-A EUROPEAN JOURNAL | WoS-id: 000667816700001
Scopus-id: 2-s2.0-85108793608
| 18 | 22 |
| 10 | Implementation of the interacting quantum atom energy decomposition using the CASPT2 method | Coautor: Hernandez-Trujillo, Jesus, Jara-Cortes, Jesus, Leal-Sanchez, Edith, Francisco, Evelio, et al. | 2021 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | WoS-id: 000727601100001
Scopus-id: 2-s2.0-85121780150
| 4 | 5 |
| 11 | Photochemical and antibacterial properties of ruthenium complex of N,N?-bis(benzimidazole-2yl-ethyl)ethylenediamine under visible light: Experimental and theoretical studies | Coautor: Hernandez-Trujillo, Jesus, Hernández-Hernández J.G., Aguilar C.A.H., Thangarasu, Pandiyan | 2020 | JOURNAL OF MOLECULAR STRUCTURE | WoS-id: 000504448700022
Scopus-id: 2-s2.0-85075826912
| 10 | 11 |
| 12 | Feynman Force Analysis of Chemical Processes in Terms of Topological Atomic Contributions | Coautor y autor de correspondencia: Hernandez-Trujillo, Jesus, Jara-Cortes, Jesus, Leal-Sanchez, Edith | 2020 | JOURNAL OF PHYSICAL CHEMISTRY A | WoS-id: 000562054800013
Scopus-id: 2-s2.0-85089610951
| 6 | 8 |
| 13 | Latin American contributions to quantum chemical topology | Coautor: Hernández-Trujillo J., García-Revilla M.A., Cortés-Guzmán F., Rocha-Rinza T. | 2019 | INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | WoS-id: 000452623400013
Scopus-id: 2-s2.0-85054596808
| 9 | 5 |
| 14 | Partially Covalent Two-Electron/Multicentric Bonding between Semiquinone Radicals | Coautor: Hernandez-Trujillo, Jesus, Molcanov, Krgimir, Jelsch, Christian, Landeros, Bruno, et al. | 2019 | CRYSTAL GROWTH & DESIGN | WoS-id: 000455076500046
Scopus-id: 2-s2.0-85058071139
| 32 | 32 |
| 15 | Exotic Bonding Regimes Uncovered in Excited States | Coautor: Hernandez-Trujillo, Jesus, Casals-Sainz J.L., Jara-Cortes, Jesus, Guevara-Vela J.M., et al. | 2019 | CHEMISTRY-A EUROPEAN JOURNAL | WoS-id: 000483261600001
Scopus-id: 2-s2.0-85071327078
| 12 | 14 |
| 16 | Charge transfer and electron localization as the origin of the anomeric effect in the O-C-O segment of dimethoxymethane and spiroketals | Coautor: Hernández-Trujillo J., Buschbeck-Alvarado M.E., Hernández-Fernández G., Cortés-Guzmán F., et al. | 2018 | JOURNAL OF PHYSICAL ORGANIC CHEMISTRY | WoS-id: 000427481700010
Scopus-id: 2-s2.0-85035241071
| 8 | 7 |
| 17 | Energetic Analysis of Conjugated Hydrocarbons Using the Interacting Quantum Atoms Method | 2ᵒ autor y autor de correspondencia: Hernández-Trujillo J., Jara-Cortés J. | 2018 | JOURNAL OF COMPUTATIONAL CHEMISTRY | WoS-id: 000434129500003
Scopus-id: 2-s2.0-85042009070
| 15 | 16 |
| 18 | Unveiling the role of intra and interatomic interactions in the energetics of reaction schemes: a quantum chemical topology analysis | Coautor y autor de correspondencia: Hernández-Trujillo J., Jara-Cortés J., Landeros-Rivera B. | 2018 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | WoS-id: 000449499100029
Scopus-id: 2-s2.0-85056272322
| 6 | 7 |
| 19 | Multicentric two-electron covalent bonding (pancake bonding) between semiquinone radicals determines bulk properties | Coautor: Hernandez-Trujillo, Jesus, Molcanov, Krimir, Jelsch, Christian, Wenger, Emmanuel, et al. | 2018 | ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES | WoS-id: 000474406600127
| 1 | 0 |
| 20 | Chemical Bonding in Excited States: Energy Transfer and Charge Redistribution from a Real Space Perspective | Coautor: Hernandez-Trujillo, Jesus, Jara-Cortes, Jesus, Manuel Guevara-Vela, Jose, Martin Pendas, Angel | 2017 | JOURNAL OF COMPUTATIONAL CHEMISTRY | WoS-id: 000398515200003
Scopus-id: 2-s2.0-85014446799
| 28 | 28 |
| 21 | Electron delocalization and electron density of small polycyclic aromatic hydrocarbons in singlet excited states | 2ᵒ autor y autor de correspondencia: Hernandez-Trujillo, Jesus, Estevez-Fregoso, Mar | 2016 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | WoS-id: 000375623100025
Scopus-id: 2-s2.0-84968752876
| 20 | 21 |
| 22 | Electron density analysis of bent aromatic molecules: intramolecular interactions in small paracyclophanes | 1ᵉʳ autor y autor de correspondencia: Hernandez-Trujillo, Jesus | 2016 | THEORETICAL CHEMISTRY ACCOUNTS | WoS-id: 000382128900001
Scopus-id: 2-s2.0-84979742605
| 7 | 7 |
| 23 | Theoretical study of intermolecular interactions in crystalline arene-perhaloarene adducts in terms of the electron density | Coautor y autor de correspondencia: Hernandez-Trujillo, Jesus, Landeros-Rivera, Bruno, Moreno-Esparza, Rafael | 2016 | RSC ADVANCES | WoS-id: 000382482200022
Scopus-id: 2-s2.0-85009933463
| 11 | 11 |
| 24 | Electron density analysis of aromatic complexes in excited electronic states: The benzene and naphthalene excimers | Coautor y autor de correspondencia: Hernández-Trujillo J., Jara-Cortés J., Rocha-Rinza T. | 2015 | COMPUTATIONAL AND THEORETICAL CHEMISTRY | WoS-id: 000349591600025
Scopus-id: 2-s2.0-84920895587
| 23 | 24 |
| 25 | The rotational barrier of ethane and some of its hexasubstituted derivatives in terms of the forces acting on the electron distribution | Coautor: Hernández-Trujillo J., Cortés-Guzmán F., Cuevas G., Pendas, AM | 2015 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | WoS-id: 000358207400017
Scopus-id: 2-s2.0-84937155735
| 19 | 18 |
| 26 | Hydrogen-bond cooperative effects in small cyclic water clusters as revealed by the interacting quantum atoms approach | Coautor: Hernandez-Trujillo, J, Guevara-Vela, JM, Chavez-Calvillo, R, Garcia-Revilla, M, et al. | 2013 | CHEMISTRY-A EUROPEAN JOURNAL | WoS-id: 000325488900043
Scopus-id: 2-s2.0-84905157913
| 81 | 82 |
| 27 | The Ehrenfest force field: Topology and consequences for the definition of an atom in a molecule | 2ᵒ autor y autor de correspondencia: Hernández-Trujillo J., Pendás A.M. | 2012 | JOURNAL OF CHEMICAL PHYSICS | WoS-id: 000309662700004
Scopus-id: 2-s2.0-84870157427
| 55 | 61 |
| 28 | Quantum Molecular Dynamics of the Topological Properties of the Electron Density: Charge Transfer in H-3(+) and LiF | 2ᵒ autor y autor de correspondencia: Hernandez-Trujillo, J, Chavez-Calvillo, R | 2011 | JOURNAL OF PHYSICAL CHEMISTRY A | WoS-id: 000296685500063
Scopus-id: 2-s2.0-80855128987
| 8 | 11 |
| 29 | Theoretical analysis of intermolecular interactions of selected residues of triosephosphate isomerase from Trypanosoma cruzi with its inhibitor 3-(2-benzothiazolylthio)-1-propan | Coautor y autor de correspondencia: Hernandez-Trujillo, J, Chavez-Calvillo, R, Costas, M | 2010 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | WoS-id: 000274622900004
Scopus-id: 2-s2.0-77149137688
| 12 | 12 |
| 30 | Theoretical analysis of hydrogen bonding in catechol-n(H2O) clusters (n=0...3) | Coautor y autor de correspondencia: Hernandez-Trujillo, J, Gomez-Zaleta, B, Gomez-Balderas, R | 2010 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | WoS-id: 000277153800029
Scopus-id: 2-s2.0-77951800912
| 20 | 20 |
| 31 | Application of the additivity of group energies to understand conformational preference: the anomeric effect | 2ᵒ autor: Hernandez-Trujillo, J, Cortes-Guzman, F, Cuevas, G | 2010 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | WoS-id: 000282642800050
Scopus-id: 2-s2.0-77957899373
| 13 | 13 |
| 32 | Interpretation of vicinal proton-proton coupling constants of heteroaromatic molecules in terms of topological electron density descriptors | 2ᵒ autor y autor de correspondencia: Hernandez-Trujillo, J, Sanchez-Mendoza, E | 2010 | MAGNETIC RESONANCE IN CHEMISTRY | WoS-id: 000283483600005
Scopus-id: 2-s2.0-78649675380
| 6 | 7 |
| 33 | Energetic and electron density analysis of hydrogen dissociation of protonated benzene | 2ᵒ autor y autor de correspondencia: Hernandez-Trujillo, J, Garcia-Revilla, M | 2009 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | WoS-id: 000270138700005
Scopus-id: 2-s2.0-70349592124
| 18 | 21 |
| 34 | Electron density analysis of tautomeric mechanisms of adenine, thymine and guanine and the pairs of thymine with adenine or guanine | 2ᵒ autor y autor de correspondencia: Hernandez-Trujillo, J, Mejia-Mazariegos, L | 2009 | CHEMICAL PHYSICS LETTERS | WoS-id: 000271264600004
Scopus-id: 2-s2.0-72049099824
| 16 | 17 |
| 35 | Forces in molecules | 1ᵉʳ autor: Hernández-Trujillo J., Cortés-Guzmán F., Fang D.-C., Bader R.F.W. | 2007 | FARADAY DISCUSSIONS | WoS-id: 000243024500006
Scopus-id: 2-s2.0-33845869849
| 56 | 61 |
| 36 | Chemical bonding: From Lewis to atoms in molecules | 2ᵒ autor: Hernández-Trujillo J., Bader R.F.W., Cortés-Guzmán F. | 2007 | JOURNAL OF COMPUTATIONAL CHEMISTRY | WoS-id: 000243171300002
Scopus-id: 2-s2.0-33846579120
| 80 | 87 |
| 37 | Molecular characterization of p-alkyl phenol-n-heptane interactions and their implication as asphaltene dispersants | 1ᵉʳ autor: Hernández-Trujillo J., Martínez-Magadán J.M., García-Cruz I. | 2007 | ENERGY & FUELS | WoS-id: 000245041200100
Scopus-id: 2-s2.0-34247104975
| 14 | 13 |
| 38 | Experimental and theoretical analysis of vicinal and long-range proton-proton coupling constants for anthracene derivatives | 2ᵒ autor: Hernández-Trujillo J., Sánchez-Mendoza E., Del Río-Portilla F. | 2007 | JOURNAL OF PHYSICAL CHEMISTRY A | WoS-id: 000248758800029
Scopus-id: 2-s2.0-34548569459
| 10 | 9 |
| 39 | Hydrogen-hydrogen bonding in biphenyl revisited | 1ᵉʳ autor: Hernández-Trujillo J., Matta C.F. | 2007 | STRUCTURAL CHEMISTRY | WoS-id: 000252159000014
Scopus-id: 2-s2.0-37749016305
| 133 | 141 |
| 40 | Application of molecular simulation to calculate miscibility of a model asphaltene molecule | Coautor: Hernández-Trujillo J., Vicente L., Soto C., Pacheco-Sánchez H., et al. | 2006 | FLUID PHASE EQUILIBRIA | WoS-id: 000234611200014
Scopus-id: 2-s2.0-29244484414
| 42 | 47 |
| 41 | The nature of benzene-cation interactions from the topology of the electron distribution | 2ᵒ autor y autor de correspondencia: Hernández-Trujillo J., Rocha-Rinza T. | 2006 | CHEMICAL PHYSICS LETTERS | WoS-id: 000237177500008
Scopus-id: 2-s2.0-33646389534
| 15 | 18 |
| 42 | Topological analysis of the electron density and of the electron localization function of pyrene and its radicals | 1ᵉʳ autor: Hernández-Trujillo J., García-Cruz I., Martínez-Magadán J.M. | 2005 | CHEMICAL PHYSICS | WoS-id: 000225814200018
Scopus-id: 2-s2.0-8144229326
| 20 | 22 |
| 43 | Erratum: Bonding in polycyclic aromatic hydrocarbons in terms of the electron density and of electron delocalization (Journal of Physical Chemistry A (2003) 107A) | 2ᵒ autor y autor de correspondencia: Hernández-Trujillo J., Matta C.F. | 2005 | JOURNAL OF PHYSICAL CHEMISTRY A | WoS-id: 000233684700021
Scopus-id: 2-s2.0-29144517033
| 47 | 41 |
| 44 | Experimental and theoretical study of aromatic-aromatic interactions. Association enthalpies and central and distributed multipole electric moments analysis | 2ᵒ autor: Hernandez-Trujillo, J, Perez-Casas, S, Costas, M | 2003 | JOURNAL OF PHYSICAL CHEMISTRY B | WoS-id: 000182491000024
Scopus-id: 2-s2.0-0038680376
| 43 | 42 |
| 45 | Hydrogen - Hydrogen bonding: A stabilizing interaction in molecules and crystals | 2ᵒ autor: Hernández-Trujillo J., Matta C.F., Tang T.-H., Bader R.F.W. | 2003 | CHEMISTRY-A EUROPEAN JOURNAL | WoS-id: 000182922100005
Scopus-id: 2-s2.0-0038476327
| 727 | 759 |
| 46 | Chemical bonding in ternary magnesium hydrides | 2ᵒ autor y autor de correspondencia: Hernández-Trujillo J., Orgaz E. | 2003 | INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | WoS-id: 000184552200003
Scopus-id: 2-s2.0-0043164866
| 10 | 10 |
| 47 | Bonding in Polycyclic Aromatic Hydrocarbons in Terms of the Electron Density and of Electron Delocalization | 2ᵒ autor y autor de correspondencia: Hernández-Trujillo J., Matta C.F. | 2003 | JOURNAL OF PHYSICAL CHEMISTRY A | WoS-id: 000185401700022
Scopus-id: 2-s2.0-0141925286
| 190 | 206 |
| 48 | The Nonexistence of Repulsive 1,3-Diaxial Interactions in Monosubstituted Cyclohexanes | 2ᵒ autor: Hernández-Trujillo J., Cortés-Guzmán F., Cuevas G. | 2003 | JOURNAL OF PHYSICAL CHEMISTRY A | WoS-id: 000186282000001
Scopus-id: 2-s2.0-17144449581
| 62 | 67 |
| 49 | Proton spin-spin coupling and electron delocalization | 2ᵒ autor: Hernández-Trujillo J., Matta C.F., Bader R.F.W. | 2002 | JOURNAL OF PHYSICAL CHEMISTRY A | WoS-id: 000177353700016
Scopus-id: 2-s2.0-0037104811
| 54 | 60 |
| 50 | Properties of atoms in molecules: Construction of one-density matrix from functional group densities | 1ᵉʳ autor: Hernández-Trujillo J., Bader R.F.W. | 2001 | JOURNAL OF CHEMICAL PHYSICS | WoS-id: 000172536000005
Scopus-id: 2-s2.0-0035894528
| 9 | 10 |
| 51 | Properties of atoms in molecules: Atoms forming molecules | 1ᵉʳ autor: Hernández-Trujillo J., Bader R.F.W. | 2000 | JOURNAL OF PHYSICAL CHEMISTRY A | WoS-id: 000085642100021
Scopus-id: 2-s2.0-0037973786
| 103 | 118 |
| 52 | A theoretical study of hydroxycarbene as a model for the homolysis of oxy- and dioxycarbenes | 2ᵒ autor: Hernández-Trujillo J., Reid D.L., Warkentin J. | 2000 | JOURNAL OF PHYSICAL CHEMISTRY A | Scopus-id: 2-s2.0-17344376298
| 0 | 29 |
| 53 | MP2 ab initio calculations of the hexafluorobenzene-benzene and -monofluorobenzene complexes | 1ᵉʳ autor: Hernández-Trujillo J., Colmenares F., Cuevas G., Costas M. | 1997 | CHEMICAL PHYSICS LETTERS | WoS-id: A1997WF89300033
Scopus-id: 2-s2.0-0031557013
| 57 | 64 |
| 54 | Molecular quadrupole moments for the series of fluoro- and chlorobenzenes | 1ᵉʳ autor: Hernández-Trujillo J., Vela A. | 1996 | J PHYS CHEM-US | WoS-id: A1996UF87900028
Scopus-id: 2-s2.0-0001496879
| 80 | 80 |
| 55 | Quadrupole interactions in pure non-dipolar fluorinated or methylated benzenes and their binary mixtures | 1ᵉʳ autor: Hernández-Trujillo J., Costas M., Vela A. | 1993 | J CHEM SOC FARADAY T | WoS-id: A1993LN92600020
Scopus-id: 2-s2.0-0042588760
| 49 | 53 |
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