| 1 | Computer-aided design of caffeic acid derivatives: free radical scavenging activity and reaction force | Coautor: Alvarez-Idaboy, JR, Morales-García, BC, Pérez-González, A, Galano, A | 2025 | JOURNAL OF MOLECULAR MODELING | WoS-id: 001385847700002
Scopus-id: 2-s2.0-85213247355
| 0 | 0 |
| 2 | Allosteric Coupling in Full-Length Lyn Kinase Revealed by Molecular Dynamics and Network Analysis | Coautor: Alvarez-Idaboy J.R., Rabipour M., Hassenrück F., Pallaske E., et al. | 2025 | INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES | Scopus-id: 2-s2.0-105008975300
| 0 | 0 |
| 3 | Identifying the Transients and Transformation Products in Hydroxyl Radical-Methimazole Reactions Using DFT and UPLC-Q-TOF MS/MS Approaches | Coautor: Alvarez-Idaboy J.R., Prasanthkumar K.P., Valayankadan F., Aravindakumar C.T., et al. | 2024 | JOURNAL OF PHYSICAL CHEMISTRY B | WoS-id: 001163339700001
Scopus-id: 2-s2.0-85185222127
| 0 | 0 |
| 4 | Strategic design, theoretical insights, synthesis, and unveiling antioxidant potential in a novel ascorbic acid analog | Coautor: Alvarez-Idaboy, JR, Ardjani, TEA, Daoudi, S, Benaissa, R | 2024 | JOURNAL OF MOLECULAR MODELING | WoS-id: 001205747400003
Scopus-id: 2-s2.0-85190763148
| 1 | 1 |
| 5 | Correction to: Strategic design, theoretical insights, synthesis, and unveiling antioxidant potential in a novel ascorbic acid analog (Journal of Molecular Modeling, (2024), 30, 5, (141), 10.1007/s00894-024-05942-z) | Coautor: Alvarez-Idaboy J.R., Ardjani T.E.A., Daoudi S., Benaissa M.R. | 2024 | JOURNAL OF MOLECULAR MODELING | WoS-id: 001227245000001
Scopus-id: 2-s2.0-85193469518
| 1 | 0 |
| 6 | Radical scavenging activity of bromophenol analogs: analysis of kinetics and mechanisms | Coautor: Alvarez-Idaboy, JR, Hachemaoui, S, Ardjani, TEA, Brahim, H | 2024 | JOURNAL OF MOLECULAR MODELING | WoS-id: 001244888200001
Scopus-id: 2-s2.0-85195999866
| 1 | 0 |
| 7 | The Synergy between Glutathione and Phenols-Phenolic Antioxidants Repair Glutathione: Closing the Virtuous Circle-A Theoretical Insight | 2ᵒ autor y autor de correspondencia: Alvarez-Idaboy, Juan Raul, Carreon-Gonzalez, Mirzam | 2023 | Antioxidants | WoS-id: 000994105500001
Scopus-id: 2-s2.0-85160672700
| 7 | 8 |
| 8 | Functional impact and molecular binding modes of drugs that target the PI3K isoform p110d | Coautor: Alvarez-Idaboy, Juan Raul, Hassenrück F., Farina-Morillas, Maria, Neumann, Lars, et al. | 2023 | Communications Biology | WoS-id: 001000998900004
Scopus-id: 2-s2.0-85160985656
| 1 | 1 |
| 9 | Role of Imidazole and Chelate Ring Size in Copper Oxidation Catalysts: An Experimental and Theoretical Study | 2ᵒ autor: Álvarez-Idaboy J.R., Mendieta A., Ugalde-Saldívar V.M., Flores-Álamo M., et al. | 2023 | INORGANIC CHEMISTRY | WoS-id: 001133203200001
Scopus-id: 2-s2.0-85175585261
| 4 | 4 |
| 10 | Chemical repair of damaged leucine and tryptophane by thiophenols at close to diffusion-controlled rates: Mechanisms and kinetics | Coautor: Raul Alvarez-Idaboy, Juan, Carreon-Gonzalez, Mirzam, Munoz-Rugeles, Leonardo, Vivier-Bunge, Annik | 2022 | JOURNAL OF COMPUTATIONAL CHEMISTRY | WoS-id: 000749335100001
Scopus-id: 2-s2.0-85124015052
| 7 | 7 |
| 11 | Free radical scavenging activity of newly designed sesamol derivatives | Coautor y autor de correspondencia: Alvarez-Idaboy, Juan Raul, Castro-Gonzalez, Laura M., Galano, Annia | 2021 | NEW JOURNAL OF CHEMISTRY | WoS-id: 000664462300001
Scopus-id: 2-s2.0-85110347817
| 7 | 8 |
| 12 | Chemical repair mechanisms of damaged tyrosyl and tryptophanyl residues in proteins by the superoxide radical anion | Coautor y autor de correspondencia: Alvarez-Idaboy, Juan Raul, Muñoz-Rugeles L., Galano, Annia | 2020 | NEW JOURNAL OF CHEMISTRY | WoS-id: 000514598200037
Scopus-id: 2-s2.0-85079388872
| 0 | 0 |
| 13 | Computationally Designed Sesamol Derivatives Proposed as Potent Antioxidants | 2ᵒ autor: Raul Alvarez-Idaboy, Juan, Castro-Gonzalez, Laura M., Galano, Annia | 2020 | Acs Omega | WoS-id: 000529926400054
Scopus-id: 2-s2.0-85083320141
| 30 | 29 |
| 14 | The antioxidant capability of higenamine: Insights from theory | Coautor: Alvarez-Idaboy J.R., Romeo, Isabella, Parise, Angela, Galano, Annia, et al. | 2020 | Antioxidants | WoS-id: 000539284200001
Scopus-id: 2-s2.0-85084221677
| 20 | 22 |
| 15 | Chalcogen effects on the primary antioxidant activity of chrysin and quercetin | Coautor: Raul Alvarez-Idaboy, J., Castaneda-Arriaga, Romina, Marino, Tiziana, Russo, Nino, et al. | 2020 | NEW JOURNAL OF CHEMISTRY | WoS-id: 000539351700045
Scopus-id: 2-s2.0-85085739494
| 29 | 33 |
| 16 | Insights into the Mechanism of Hydroxyl Radical Mediated Oxidations of 2-Aminopurine: A Computational and Sonochemical Product Analysis Study | Coautor y autor de correspondencia: Alvarez-Idaboy, Juan R., Prasanthkumar, Kavanal P., Rayaroth, Manoj P. | 2020 | JOURNAL OF PHYSICAL CHEMISTRY B | WoS-id: 000555505200006
Scopus-id: 2-s2.0-85088488780
| 5 | 8 |
| 17 | Computational strategies for predicting free radical scavengers' protection against oxidative stress: Where are we and what might follow? | 2ᵒ autor y autor de correspondencia: Raúl Alvarez-Idaboy J., Galano A. | 2019 | INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | WoS-id: 000452623400004
Scopus-id: 2-s2.0-85047495851
| 214 | 222 |
| 18 | Modelling the repair of carbon-centred protein radicals by the antioxidants glutathione and Trolox | Coautor: Álvarez-Idaboy J.R., Ramis R., Casasnovas R., Ortega-Castro J., et al. | 2019 | NEW JOURNAL OF CHEMISTRY | WoS-id: 000459581000004
Scopus-id: 2-s2.0-85060818546
| 10 | 10 |
| 19 | Melatonin and its metabolites as chemical agents capable of directly repairing oxidized DNA | Coautor: Álvarez-Idaboy J.R., Perez-Gonzalez, Adriana, Castañeda-Arriaga R., Reiter, Russel J., et al. | 2019 | JOURNAL OF PINEAL RESEARCH | WoS-id: 000459678400007
Scopus-id: 2-s2.0-85058649361
| 45 | 45 |
| 20 | Reinvestigation of Acetophenones Oxidation by Performic Acid in Formic Acid | Coautor: Alvarez-Idaboy J.R., Reyes, Lino, Nicolás-Vázquez M.I., Iuga, Cristina | 2019 | JOURNAL OF PHYSICAL CHEMISTRY A | WoS-id: 000461537100009
Scopus-id: 2-s2.0-85062847531
| 1 | 2 |
| 21 | Thiophenols, Promising Scavengers of Peroxyl Radicals: Mechanisms and kinetics | Coautor y autor de correspondencia: Alvarez-Idaboy, Juan Raul, Carreon-Gonzalez, Mirzam, Vivier-Bunge, Annik | 2019 | JOURNAL OF COMPUTATIONAL CHEMISTRY | WoS-id: 000478587800004
Scopus-id: 2-s2.0-85066893747
| 57 | 55 |
| 22 | Theoretical and experimental study demonstrates kinetic control in chalcone-flavanone transformation of naphthalene derivatives | 2ᵒ autor: Álvarez-Idaboy J.R., Gasque L., Flores-Álamo M., Guzmán-Méndez Ó., et al. | 2018 | JOURNAL OF MOLECULAR STRUCTURE | WoS-id: 000425197400073
Scopus-id: 2-s2.0-85040010291
| 3 | 3 |
| 23 | Role of purines on the copper-catalyzed oxidative damage in biological systems: Protection versus promotion | Coautor: Alvarez-Idaboy J.R., Castañeda-Arriaga R., Pérez-González A., Galano A. | 2018 | INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | WoS-id: 000428413300006
Scopus-id: 2-s2.0-85044425788
| 13 | 14 |
| 24 | Radical scavenging activity of ascorbic acid analogs: kinetics and mechanisms | 2ᵒ autor y autor de correspondencia: Alvarez-Idaboy J.R., Ardjani T.E.A. | 2018 | THEORETICAL CHEMISTRY ACCOUNTS | WoS-id: 000431757100001
Scopus-id: 2-s2.0-85046355306
| 16 | 18 |
| 25 | Comprehensive Investigation of the Antioxidant and Pro-oxidant Effects of Phenolic Compounds: A Double-Edged Sword in the Context of Oxidative Stress? | Coautor: Raul Alvarez-Idaboy, J., Castaneda-Arriaga, Romina, Perez-Gonzalez, Adriana, Reina, Miguel, et al. | 2018 | JOURNAL OF PHYSICAL CHEMISTRY B | WoS-id: 000435614000008
Scopus-id: 2-s2.0-85047433605
| 85 | 89 |
| 26 | Chemical Insights into the Antioxidant Mechanisms of Alkylseleno and Alkyltelluro Phenols: Periodic Relatives Behaving Differently | Coautor: Raul Alvarez-Idaboy, Juan, Marino, Tiziana, Galano, Annia, Mazzone, Gloria, et al. | 2018 | CHEMISTRY-A EUROPEAN JOURNAL | WoS-id: 000435772200029
Scopus-id: 2-s2.0-85048752744
| 14 | 15 |
| 27 | The other side of the superoxide radical anion: its ability to chemically repair DNA oxidized sites | Coautor y autor de correspondencia: Raul Alvarez-Idaboy, Juan, Munoz-Rugeles, Leonardo, Galano, Annia | 2018 | CHEMICAL COMMUNICATIONS | WoS-id: 000452111000018
Scopus-id: 2-s2.0-85058165272
| 11 | 12 |
| 28 | Theoretical Study of the Reactivity and Selectivity of Various Free Radicals with Cysteine Residues | Coautor y autor de correspondencia: Raul Alvarez-Idaboy, J., Romero-Silva, Antonio, Mora-Diez, Nelaine | 2018 | Acs Omega | WoS-id: 000454244600015
Scopus-id: 2-s2.0-85058090282
| 7 | 7 |
| 29 | Non-covalent pi-pi stacking interactions turn off non-adiabatic effects in proton-coupled electron transfer reactions | Coautor y autor de correspondencia: Alvarez-Idaboy, J. Raul, Munoz-Rugeles, Leonardo, Galano, Annia | 2017 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | WoS-id: 000396148600008
Scopus-id: 2-s2.0-85015749036
| 20 | 20 |
| 30 | Formation mechanism of glyoxal-DNA adduct, a DNA cross-link precursor | Coautor: Alvarez-Idaboy J.R., Vilanova B., Fernández D., Casasnovas R., et al. | 2017 | INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES | WoS-id: 000396950600076
Scopus-id: 2-s2.0-85013152295
| 11 | 12 |
| 31 | Dual antioxidant/pro-oxidant behavior of the tryptophan metabolite 3-hydroxyanthranilic acid: a theoretical investigation of reaction mechanisms and kinetics | 2ᵒ autor: Raul Alvarez-Idaboy, Juan, Perez-Gonzalez, Adriana, Galano, Annia | 2017 | NEW JOURNAL OF CHEMISTRY | WoS-id: 000401533200016
Scopus-id: 2-s2.0-85021415808
| 37 | 38 |
| 32 | The role of acid-base equilibria in formal hydrogen transfer reactions: tryptophan radical repair by uric acid as a paradigmatic case | Coautor y autor de correspondencia: Raul Alvarez-Idaboy, Juan, Munoz-Rugeles, Leonardo, Galano, Annia | 2017 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | WoS-id: 000403561200044
Scopus-id: 2-s2.0-85024480854
| 27 | 27 |
| 33 | Radical-trapping and preventive antioxidant effects of 2-hydroxymelatonin and 4-hydroxymelatonin: Contributions to the melatonin protection against oxidative stress | Coautor: Alvarez-Idaboy J.R., Pérez-González A., Galano A., Tan D.X., et al. | 2017 | BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS | WoS-id: 000408071800006
Scopus-id: 2-s2.0-85021419790
| 25 | 26 |
| 34 | Estimation of empirically fitted parameters for calculating pK (a) values of thiols in a fast and reliable way | Coautor: Alvarez-Idaboy J.R., Pérez-González A., Castañeda-Arriaga R., Verastegui B., et al. | 2017 | THEORETICAL CHEMISTRY ACCOUNTS | WoS-id: 000417956100001
Scopus-id: 2-s2.0-85037743232
| 20 | 20 |
| 35 | Primary antioxidant and metal-binding effects of tiopronin: A theoretical investigation of its action mechanism | Coautor y autor de correspondencia: Raul Alvarez-Idaboy, J., Castaneda-Arriaga, Romina, Vivier-Bunge, Annik | 2016 | COMPUTATIONAL AND THEORETICAL CHEMISTRY | WoS-id: 000370305400008
Scopus-id: 2-s2.0-84958550882
| 16 | 16 |
| 36 | Food Antioxidants: Chemical Insights at the Molecular Level | Coautor: Alvarez-Idaboy, J. Raul, Galano, Annia, Mazzone, Gloria, Alvarez-Diduk, Ruslan, et al. | 2016 | Annual Review of Food Science and Technology | WoS-id: 000371430700015
Scopus-id: 2-s2.0-84959927105
| 324 | 339 |
| 37 | Coumarin-Chalcone Hybrids as Peroxyl Radical Scavengers: Kinetics and Mechanisms | Coautor: Alvarez-Idaboy, Juan R., Mazzone, Gloria, Galano, Annia, Russo, Nino | 2016 | JOURNAL OF CHEMICAL INFORMATION AND MODELING | WoS-id: 000375021100007
Scopus-id: 2-s2.0-84969130586
| 49 | 48 |
| 38 | Tryptophan versus nitric oxide, nitrogen dioxide and carbonate radicals: differences in reactivity and implications for oxidative damage to proteins | Coautor y autor de correspondencia: Raul Alvarez-Idaboy, Juan, Perez-Gonzalez, Adriana, Munoz-Rugeles, Leonardo | 2016 | THEORETICAL CHEMISTRY ACCOUNTS | WoS-id: 000378002400001
Scopus-id: 2-s2.0-84973486954
| 7 | 8 |
| 39 | Deprotonation routes of anthocyanidins in aqueous solution, p: K a values, and speciation under physiological conditions | Coautor y autor de correspondencia: Raul Alvarez-Idaboy, Juan, Rafael Leon-Carmona, Jorge, Galano, Annia | 2016 | RSC ADVANCES | WoS-id: 000378563200107
Scopus-id: 2-s2.0-84973397868
| 23 | 26 |
| 40 | Hydrogen Abstraction Reactions from Phenolic Compounds by Peroxyl Radicals: Multireference Character and Density Functional Theory Rate Constants | Coautor: Raul Alvarez-Idaboy, Juan, Galano, Annia, Munoz-Rugeles, Leonardo, Bao, Junwei Lucas, et al. | 2016 | JOURNAL OF PHYSICAL CHEMISTRY A | WoS-id: 000379988900005
Scopus-id: 2-s2.0-84978761402
| 59 | 59 |
| 41 | Contrasting reactions of hydrated electron and formate radical with 2-thio analogues of cytosine and uracil | 2ᵒ autor: Alvarez-Idaboy, Juan R., Prasanthkumar, Kavanal P., Kumar, Pavitra V., Singh, Beena G., et al. | 2016 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | WoS-id: 000386668200038
Scopus-id: 2-s2.0-84992388167
| 9 | 9 |
| 42 | Theoretical study of copper complexes with lipoic and dihydrolipoic acids | 2ᵒ autor: Raul Alvarez-Idaboy, J., Castaneda-Arriaga, Romina, Mora-Diez, Nelaine | 2016 | RSC ADVANCES | WoS-id: 000389342400099
Scopus-id: 2-s2.0-84995897451
| 11 | 11 |
| 43 | Chemical repair of protein carbon-centred radicals: Long-distance dynamic factors | Coautor: Raul Alvarez-Idaboy, J., Castaneda-Arriaga, Romina, Dominguez-Castro, Adrian, Lee, JinGyu, et al. | 2016 | CANADIAN JOURNAL OF CHEMISTRY | WoS-id: 000390320300019
Scopus-id: 2-s2.0-85002157846
| 8 | 8 |
| 44 | Site reactivity in the free radicals induced damage to leucine residues: a theoretical study | Coautor y autor de correspondencia: Alvarez-Idaboy J.R., Medina M.E., Galano A. | 2015 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | WoS-id: 000349616400019
Scopus-id: 2-s2.0-84934925258
| 22 | 22 |
| 45 | Free-radical scavenging by tryptophan and its metabolites through electron transfer based processes | 2ᵒ autor: Alvarez-Idaboy J.R., Pérez-González A., Galano A. | 2015 | JOURNAL OF MOLECULAR MODELING | WoS-id: 000359539700006
Scopus-id: 2-s2.0-84938363639
| 52 | 56 |
| 46 | A proton-electron sequential transfer mechanism: theoretical evidence about its biological relevance | 2ᵒ autor y autor de correspondencia: AlvarezIdaboy, JR, MunozRugeles, L | 2015 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | WoS-id: 000364024100008
Scopus-id: 2-s2.0-84946041478
| 28 | 28 |
| 47 | Modelling the chemical repair of protein carbon-centered radicals formed via oxidative damage with dihydrolipoic acid | Coautor y autor de correspondencia: Alvarez-Idaboy J.R., CastanedaArriaga, R, Mora-Diez N. | 2015 | RSC ADVANCES | WoS-id: 000364907500059
Scopus-id: 2-s2.0-84946943977
| 15 | 16 |
| 48 | Assessing the Protective Activity of a Recently Discovered Phenolic Compound against Oxidative Stress Using Computational Chemistry | 2ᵒ autor: Alvarez-Idaboy J.R., Villuendas-Rey Y., Galano A. | 2015 | JOURNAL OF CHEMICAL INFORMATION AND MODELING | WoS-id: 000367560200008
Scopus-id: 2-s2.0-84952763516
| 28 | 30 |
| 49 | Theoretical study on the peroxyl radicals scavenging activity of esculetin and its regeneration in aqueous solution | Coautor y autor de correspondencia: Alvarez-Idaboy J.R., Medina M.E., Galano A. | 2014 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | WoS-id: 000328643900044
Scopus-id: 2-s2.0-84890280729
| 39 | 38 |
| 50 | An experimental and theoretical study of the kinetics and mechanism of hydroxyl radical reaction with 2-aminopyrimidine | 2ᵒ autor y autor de correspondencia: Alvarez-Idaboy J.R., Prasanthkumar K.P. | 2014 | RSC ADVANCES | WoS-id: 000333205200048
Scopus-id: 2-s2.0-84896939070
| 21 | 19 |
| 51 | A theoretical and experimental evaluation of imidazolium-based ionic liquids for atmospheric mercury capture | Coautor: Alvarez-Idaboy J.R., Iuga C., Solís C., Martínez M.Á., et al. | 2014 | JOURNAL OF MOLECULAR MODELING | WoS-id: 000336306200023
Scopus-id: 2-s2.0-84901726098
| 7 | 11 |
| 52 | Dihydroxybenzoic acids as free radical scavengers: Mechanisms, kinetics, and trends in activity | Coautor y autor de correspondencia: Alvarez-Idaboy J.R., Pérez-González A., Galano A. | 2014 | NEW JOURNAL OF CHEMISTRY | WoS-id: 000336821000062
Scopus-id: 2-s2.0-84901020604
| 44 | 46 |
| 53 | Lipoic acid and dihydrolipoic acid. A comprehensive theoretical study of their antioxidant activity supported by available experimental kinetic data | 2ᵒ autor y autor de correspondencia: Alvarez-Idaboy, JR, Castaneda-Arriaga, R | 2014 | JOURNAL OF CHEMICAL INFORMATION AND MODELING | WoS-id: 000337937100010
Scopus-id: 2-s2.0-84903275789
| 42 | 45 |
| 54 | Antioxidant activity of selected natural polyphenolic compounds from soybean via peroxyl radical scavenging | Coautor: Alvarez-Idaboy J.R., Caicedo C., Iuga C., Castaneda-Arriaga, R | 2014 | RSC ADVANCES | WoS-id: 000341776900051
Scopus-id: 2-s2.0-84906861201
| 34 | 32 |
| 55 | Kinetics of radical-molecule reactions in aqueous solution: A benchmark study of the performance of density functional methods | 2ᵒ autor y autor de correspondencia: Alvarez-Idaboy, JR, Galano, A | 2014 | JOURNAL OF COMPUTATIONAL CHEMISTRY | WoS-id: 000342747500001
Scopus-id: 2-s2.0-85027917333
| 249 | 250 |
| 56 | Antioxidant activity of fraxetin and its regeneration in aqueous media. A density functional theory study | Coautor y autor de correspondencia: Álvarez-Idaboy J.R., Medina M.E., Iuga C. | 2014 | RSC ADVANCES | WoS-id: 000344390000044
Scopus-id: 2-s2.0-84908404126
| 40 | 38 |
| 57 | Tryptophan: Antioxidant or target of oxidative stress? A quantum chemistry elucidation | Coautor y autor de correspondencia: Alvarez-Idaboy, JR, Perez-Gonzalez, A, Munoz-Rugeles, L | 2014 | RSC ADVANCES | WoS-id: 000344997800051
Scopus-id: 2-s2.0-84908635225
| 25 | 26 |
| 58 | Kinetics of radical-molecule reactions in aqueous solution: A benchmark study of the performance of density functional methods | 2ᵒ autor y autor de correspondencia: Alvarez-Idaboy J.R., Galano A. | 2014 | JOURNAL OF COMPUTATIONAL CHEMISTRY | Scopus-id: 2-s2.0-84906072788
| 0 | 3 |
| 59 | Acid-catalyzed nucleophilic additions to carbonyl groups: Is the accepted mechanism the rule or an exception? | Coautor: Alvarez-Idaboy J.R., Reyes L., Nicolás-Vázquez I., Mora-Diez N. | 2013 | JOURNAL OF ORGANIC CHEMISTRY | WoS-id: 000316375300014
Scopus-id: 2-s2.0-84875133422
| 17 | 17 |
| 60 | Theoretical study of the complex reaction of O(3P) with trans-2-butene | Coautor: Alvarez-Idaboy, JR, Messaoudi, B, Mekelleche, SM, Mora-Diez, N | 2013 | THEORETICAL CHEMISTRY ACCOUNTS | WoS-id: 000320448400005
Scopus-id: 2-s2.0-84876765778
| 3 | 5 |
| 61 | Antioxidant activity of propyl gallate in aqueous and lipid media: A theoretical study | Coautor y autor de correspondencia: Alvarez-Idaboy J.R., Medina M.E., Iuga C. | 2013 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | WoS-id: 000321954200041
Scopus-id: 2-s2.0-84880564091
| 58 | 62 |
| 62 | A computational methodology for accurate predictions of rate constants in solution: Application to the assessment of primary antioxidant activity | 2ᵒ autor y autor de correspondencia: Alvarez-Idaboy J.R., Galano A. | 2013 | JOURNAL OF COMPUTATIONAL CHEMISTRY | WoS-id: 000324919200004
Scopus-id: 2-s2.0-84884903374
| 346 | 362 |
| 63 | Piceatannol, a better peroxyl radical scavenger than resveratrol | Coautor y autor de correspondencia: Alvarez-Idaboy J.R., Cordova-Gomez M., Galano A. | 2013 | RSC ADVANCES | WoS-id: 000325950600085
Scopus-id: 2-s2.0-84886884413
| 92 | 96 |
| 64 | A quantum chemical study on the free radical scavenging activity of tyrosol and hydroxytyrosol | 2ᵒ autor: Alvarez-Idaboy J.R., Galano A., Francisco-Márquez M., Medina M.E. | 2012 | THEORETICAL CHEMISTRY ACCOUNTS | WoS-id: 000302295600050
Scopus-id: 2-s2.0-84857491229
| 41 | 45 |
| 65 | Molecular Description of Indigo Oxidation Mechanisms Initiated by OH and OOH Radicals | Coautor: Alvarez-Idaboy J.R., Iuga C., Ortíz E., Vivier-Bunge A. | 2012 | JOURNAL OF PHYSICAL CHEMISTRY A | WoS-id: 000302591600017
Scopus-id: 2-s2.0-84859800805
| 19 | 20 |
| 66 | Antioxidant Activity of trans-Resveratrol toward Hydroxyl and Hydroperoxyl Radicals: A Quantum Chemical and Computational Kinetics Study | 2ᵒ autor: Alvarez-Idaboy J.R., Iuga C., Russo N. | 2012 | JOURNAL OF ORGANIC CHEMISTRY | WoS-id: 000302982000017
Scopus-id: 2-s2.0-84860157821
| 235 | 252 |
| 67 | Influence of the Environment on the Protective Effects of Guaiacol Derivatives against Oxidative Stress: Mechanisms, Kinetics, and Relative Antioxidant Activity | Coautor y autor de correspondencia: Alvarez-Idaboy J.R., Galano A., León-Carmona J.R. | 2012 | JOURNAL OF PHYSICAL CHEMISTRY B | WoS-id: 000305444200011
Scopus-id: 2-s2.0-84862649986
| 40 | 42 |
| 68 | On the Chemical Repair of DNA Radicals by Glutathione: Hydrogen vs Electron Transfer | 1ᵉʳ autor: Alvarez-Idaboy J.R., Galano A. | 2012 | JOURNAL OF PHYSICAL CHEMISTRY B | WoS-id: 000307264400004
Scopus-id: 2-s2.0-84864949626
| 97 | 98 |
| 69 | On the evolution of one-electron-oxidized deoxyguanosine in damaged DNA under physiological conditions: a DFT and ONIOM study on proton transfer and equilibrium | 2ᵒ autor y autor de correspondencia: Alvarez-Idaboy J.R., Galano A. | 2012 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | WoS-id: 000307900800008
Scopus-id: 2-s2.0-84865490390
| 45 | 44 |
| 70 | On the peroxyl scavenging activity of hydroxycinnamic acid derivatives: mechanisms, kinetics, and importance of the acid-base equilibrium | 2ᵒ autor: Alvarez-Idaboy J.R., León-Carmona J.R., Galano A. | 2012 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | WoS-id: 000307900800014
Scopus-id: 2-s2.0-84865478220
| 74 | 74 |
| 71 | Special Issue: Mexican Theoretical Physical Chemistry Meetings PREFACE | 1ᵉʳ autor: Álvarez-Idaboy J.R., Galván M., Vela A., Zicovich-Wilson C.M. | 2012 | INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | WoS-id: 000308927500001
Scopus-id: 2-s2.0-84866523572
| 0 | 0 |
| 72 | Influence of the methylation degree on the rate constants of the center dot OH addition to alkenes and its temperature dependence | 2ᵒ autor y autor de correspondencia: Alvarez-Idaboy, JR, Castaneda-Arriaga, R | 2012 | INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | WoS-id: 000308927500006
Scopus-id: 2-s2.0-84866490578
| 9 | 9 |
| 73 | Mechanisms and rate constants in the atmospheric oxidation of saturated esters by hydroxyl radicals: A theoretical study | Coautor y autor de correspondencia: Alvarez-Idaboy J.R., Cordova-Gomez M., Iuga C. | 2012 | INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | WoS-id: 000308927500010
Scopus-id: 2-s2.0-84866490574
| 16 | 17 |
| 74 | Tropospheric degradation of ethylene glycol monovinyl and divinyl ethers: A mechanistic and kinetic study | Coautor: Alvarez-Idaboy J.R., De La Luz A.P., Iuga C., Ortíz E., et al. | 2012 | INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | WoS-id: 000308927500012
Scopus-id: 2-s2.0-84866482136
| 13 | 12 |
| 75 | Hydrolysis of a Chlorambucil Analogue. A DFT study | Coautor: Alvarez-Idaboy J.R., Pineda F.P., Ortega-Castro J., Frau J., et al. | 2011 | JOURNAL OF PHYSICAL CHEMISTRY A | WoS-id: 000288400900034
Scopus-id: 2-s2.0-79952759384
| 19 | 19 |
| 76 | On the possible catalytic role of a single water molecule in the acetone plus OH gas phase reaction: a theoretical pseudo-second-order kinetics study | 2ᵒ autor: Alvarez-Idaboy J.R., Iuga C., Vivier-Bunge A. | 2011 | THEORETICAL CHEMISTRY ACCOUNTS | WoS-id: 000289898800008
Scopus-id: 2-s2.0-79955471477
| 63 | 63 |
| 77 | Mechanism and Kinetics of the Water-Assisted Formic Acid plus OH Reaction under Tropospheric Conditions | 2ᵒ autor: Alvarez-Idaboy J.R., Iuga C., Vivier-Bunge A. | 2011 | JOURNAL OF PHYSICAL CHEMISTRY A | WoS-id: 000290652000015
Scopus-id: 2-s2.0-79959271367
| 59 | 60 |
| 78 | Mechanism and kinetics studies on the antioxidant activity of sinapinic acid | Coautor y autor de correspondencia: Alvarez-Idaboy J.R., Galano A., Francisco-Márquez M. | 2011 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | WoS-id: 000291113200035
Scopus-id: 2-s2.0-79958039885
| 82 | 82 |
| 79 | Canolol: A promising chemical agent against oxidative stress | Coautor y autor de correspondencia: Alvarez-Idaboy J.R., Galano A., Francisco-Márquez M. | 2011 | JOURNAL OF PHYSICAL CHEMISTRY B | WoS-id: 000292281200026
Scopus-id: 2-s2.0-79959946771
| 80 | 84 |
| 80 | ROS Initiated Oxidation of Dopamine under Oxidative Stress Conditions in Aqueous and Lipidic Environments | 2ᵒ autor: Alvarez-Idaboy J.R., Iuga C., Vivier-Bunge A. | 2011 | JOURNAL OF PHYSICAL CHEMISTRY B | WoS-id: 000296204800031
Scopus-id: 2-s2.0-80054898637
| 129 | 126 |
| 81 | Physicochemical Insights on the Free Radical Scavenging Activity of Sesamol: Importance of the Acid/Base Equilibrium | 2ᵒ autor: Alvarez-Idaboy J.R., Galano A., Francisco-Márquez M. | 2011 | JOURNAL OF PHYSICAL CHEMISTRY B | WoS-id: 000296394100049
Scopus-id: 2-s2.0-80455174524
| 66 | 65 |
| 82 | Role of Allyl Group in the Hydroxyl and Peroxyl Radical Scavenging Activity of S-Allylcysteine | 2ᵒ autor: Alvarez-Idaboy J.R., Maldonado P.D., Aguilar-González A., Lira-Rocha A., et al. | 2011 | JOURNAL OF PHYSICAL CHEMISTRY B | WoS-id: 000296686000034
Scopus-id: 2-s2.0-80855156848
| 32 | 35 |
| 83 | Glutathione: mechanism and kinetics of its non-enzymatic defense action against free radicals | 2ᵒ autor y autor de correspondencia: Alvarez-Idaboy J.R., Galano A. | 2011 | RSC ADVANCES | WoS-id: 000297561000021
Scopus-id: 2-s2.0-84255205291
| 149 | 160 |
| 84 | Counterpoise corrected interaction energies are not systematically better than uncorrected ones: comparison with CCSD(T) CBS extrapolated values | 1ᵉʳ autor: Alvarez-Idaboy J.R., Galano A. | 2010 | THEORETICAL CHEMISTRY ACCOUNTS | WoS-id: 000276912900007
Scopus-id: 2-s2.0-77951497806
| 138 | 138 |
| 85 | Mechanism and Branching Ratios of Hydroxy Ethers + (OH)-O-center dot Gas phase Reactions: Relevance of H Bond Interactions | 2ᵒ autor: Alvarez-Idaboy, JR, Galano A., Francisco-Márquez M. | 2010 | JOURNAL OF PHYSICAL CHEMISTRY A | WoS-id: 000279787300014
Scopus-id: 2-s2.0-77954749272
| 21 | 20 |
| 86 | Computational and experimental study of the interactions between ionic liquids and volatile organic compounds | Coautor y autor de correspondencia: Alvarez-Idaboy J.R., Gao T., Andino J.M. | 2010 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | WoS-id: 000281007200034
Scopus-id: 2-s2.0-77955916225
| 53 | 54 |
| 87 | Can a Single Water Molecule Really Catalyze the Acetaldehyde plus OH Reaction in Tropospheric Conditions? | 2ᵒ autor: Alvarez-Idaboy, JR, Iuga, C, Reyes, L, Vivier-Bunge, A | 2010 | JOURNAL OF PHYSICAL CHEMISTRY LETTERS | WoS-id: 000283463500021
Scopus-id: 2-s2.0-77958484259
| 110 | 108 |
| 88 | Single water-molecule catalysis in the glyoxal plus OH reaction under tropospheric conditions: Fact or fiction? A quantum chemistry and pseudo-second order computational kinetic | 2ᵒ autor: Alvarez-Idaboy, JR, Iuga, C, Vivier-Bunge, A | 2010 | CHEMICAL PHYSICS LETTERS | WoS-id: 000284688700003
Scopus-id: 2-s2.0-78649634277
| 40 | 40 |
| 89 | Substituent effects in the Baeyer-Villiger reaction of acetophenones: a theoretical study | 2ᵒ autor: Alvarez-Idaboy J.R., Reyes L., Mora-Diez N. | 2009 | JOURNAL OF PHYSICAL ORGANIC CHEMISTRY | WoS-id: 000267383800001
Scopus-id: 2-s2.0-67650809894
| 21 | 23 |
| 90 | The Baeyer-Villiger reaction: solvent effects on reaction mechanisms | Coautor y autor de correspondencia: Alvarez-Idaboy J.R., Mora-Diez N., Keller S. | 2009 | ORGANIC & BIOMOLECULAR CHEMISTRY | WoS-id: 000269327500011
Scopus-id: 2-s2.0-69549090069
| 68 | 72 |
| 91 | Quantum chemistry and TST study of the mechanisms and branching ratios for the reactions of OH with unsaturated aldehydes | 2ᵒ autor y autor de correspondencia: Alvarez-Idaboy, JR, Vega-Rodriguez, A | 2009 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | WoS-id: 000269400500016
Scopus-id: 2-s2.0-69649089529
| 91 | 91 |
| 92 | Guanosine plus OH Radical Reaction in Aqueous Solution: A Reinterpretation of the UV-vis Data Based on Thermodynamic and Kinetic Calculations | 2ᵒ autor y autor de correspondencia: Alvarez-Idaboy J.R., Galano A. | 2009 | ORGANIC LETTERS | WoS-id: 000271583000006
Scopus-id: 2-s2.0-70749127473
| 107 | 109 |
| 93 | OH Radical Gas Phase Reactions with Aliphatic Ethers: A Variational Transition State Theory Study | 2ᵒ autor: Alvarez-Idaboy J.R., Zavala-Oseguera C., Merino, G, Galano A. | 2009 | JOURNAL OF PHYSICAL CHEMISTRY A | WoS-id: 000272559800011
Scopus-id: 2-s2.0-72649084286
| 106 | 108 |
| 94 | Branching ratios of aliphatic amines plus OH gas-phase reactions: A variational transition-state theory study | 2ᵒ autor y autor de correspondencia: Alvarez-Idaboy, JR, Galano A. | 2008 | JOURNAL OF CHEMICAL THEORY AND COMPUTATION | WoS-id: 000253166000012
Scopus-id: 2-s2.0-58149117472
| 46 | 47 |
| 95 | Quantum chemistry and TST study of the mechanism and kinetics of the butadiene and isoprene reactions with mercapto radicals | 2ᵒ autor: Alvarez-Idaboy J.R., Francisco-Márquez M., Galano A., Vivier-Bunge A. | 2008 | CHEMICAL PHYSICS | WoS-id: 000255066400008
Scopus-id: 2-s2.0-39849084755
| 11 | 11 |
| 96 | Chapter 12 Atmospheric Reactions of Oxygenated Volatile Organic Compounds + OH Radicals: Role of Hydrogen-Bonded Intermediates and Transition States | 2ᵒ autor y autor de correspondencia: Alvarez-Idaboy J.R., Galano A. | 2008 | Advances in Quantum Chemistry | WoS-id: 000255834900012
Scopus-id: 2-s2.0-43049151864
| 34 | 32 |
| 97 | Theoretical explanation of nonexponential OH decay in reactions with benzene and toluene under pseudo-first-order conditions | 2ᵒ autor: Alvarez-Idaboy J.R., Uc V.H., Galano A., Vivier-Bunge A. | 2008 | JOURNAL OF PHYSICAL CHEMISTRY A | WoS-id: 000258443100014
Scopus-id: 2-s2.0-51049112956
| 56 | 58 |
| 98 | Reinvestigating the role of multiple hydrogen transfers in Baeyer-Villiger reactions | 1ᵉʳ autor: Alvarez-Idaboy J.R., Reyes L. | 2007 | JOURNAL OF ORGANIC CHEMISTRY | WoS-id: 000248793400033
Scopus-id: 2-s2.0-34547928557
| 26 | 27 |
| 99 | Non-alkane behavior of cyclopropane and its derivatives: Characterization of unconventional hydrogen bond interactions | 2ᵒ autor: Alvarez-Idaboy J.R., Galano A., Vivier-Bunge A. | 2007 | THEORETICAL CHEMISTRY ACCOUNTS | WoS-id: 000249271900020
Scopus-id: 2-s2.0-34548401149
| 28 | 27 |
| 100 | The mechanism of the Baeyer-Villiger rearrangement: Quantum chemistry and TST study supported by experimental kinetic data | 1ᵉʳ autor: Alvarez-Idaboy J.R., Reyes L., Mora-Diez N. | 2007 | ORGANIC & BIOMOLECULAR CHEMISTRY | WoS-id: 000250589100023
Scopus-id: 2-s2.0-35648965687
| 98 | 103 |
| 101 | Kinetics and mechanism of the ß-alanine + OH gas phase reaction: A quantum mechanical approach | Coautor y autor de correspondencia: Alvarez-Idaboy J.R., Cruz-Torres A., Galano A. | 2006 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | WoS-id: 000234802200011
Scopus-id: 2-s2.0-33645472869
| 16 | 16 |
| 102 | Isopropylcyclopropane + OH gas phase reaction: A quantum chemistry + CVT/SCT approach | Coautor y autor de correspondencia: Raúl Alvarez-Idaboy J., Galano A., Cruz-Torres A. | 2006 | JOURNAL OF PHYSICAL CHEMISTRY A | WoS-id: 000235297400030
Scopus-id: 2-s2.0-33644749543
| 20 | 21 |
| 103 | Computational quantum chemistry: A reliable tool in the understanding of gas-phase reactions | 2ᵒ autor: Alvarez-Idaboy J.R., Galano A., Vivier-Bunge A. | 2006 | JOURNAL OF CHEMICAL EDUCATION | WoS-id: 000235535100030
Scopus-id: 2-s2.0-33644667339
| 8 | 8 |
| 104 | A new specific mechanism for the acid catalysis of the addition step in the Baeyer-Villiger rearrangement | 1ᵉʳ autor: Alvarez-Idaboy J.R., Reyes L., Cruz J. | 2006 | ORGANIC LETTERS | WoS-id: 000237174500004
Scopus-id: 2-s2.0-33646458692
| 82 | 87 |
| 105 | A new approach to counterpoise correction to BSSE | 2ᵒ autor y autor de correspondencia: Alvarez-Idaboy J.R., Galano A. | 2006 | JOURNAL OF COMPUTATIONAL CHEMISTRY | WoS-id: 000238586600009
Scopus-id: 2-s2.0-33745922090
| 130 | 133 |
| 106 | Theoretical determination of the rate constant for OH hydrogen abstraction from toluene | 2ᵒ autor: Alvarez-Idaboy J.R., Uc V.H., Galano A., García-Cruz I., et al. | 2006 | JOURNAL OF PHYSICAL CHEMISTRY A | WoS-id: 000239817900023
Scopus-id: 2-s2.0-33748557475
| 71 | 69 |
| 107 | Glycolaldehyde + OH gas phase reaction: A quantum chemistry + CVT/SCT approach | 2ᵒ autor: Alvarez-Idaboy J.R., Galano A., Ruiz-Santoyo Ma.E., Vivier-Bunge A. | 2005 | JOURNAL OF PHYSICAL CHEMISTRY A | WoS-id: 000226213000022
Scopus-id: 2-s2.0-12344305379
| 69 | 70 |
| 108 | Quantum chemical and conventional TST calculations of rate constants for the OH + alkane reaction | 2ᵒ autor: Alvarez-Idaboy J.R., Bravo-Pérez G., Jiménez A.G., Cruz-Torres A. | 2005 | CHEMICAL PHYSICS | WoS-id: 000227421000024
Scopus-id: 2-s2.0-13844296817
| 36 | 36 |
| 109 | A possible mechanism for furan formation in the tropospheric oxidation of dienes | 2ᵒ autor: Raúl Alvarez-Idaboy J., Francisco-Márquez M., Galano A., Vivier-Bunge A. | 2005 | ENVIRONMENTAL SCIENCE & TECHNOLOGY | WoS-id: 000233297100038
Scopus-id: 2-s2.0-27744571201
| 15 | 18 |
| 110 | Ab initio study of ß-alanine conformers in the gas phase | 2ᵒ autor y autor de correspondencia: Alvarez-Idaboy J.R., Galano A. | 2005 | Arkivoc | Scopus-id: 2-s2.0-15444374889
| 0 | 12 |
| 111 | The Baeyer-Villiger reaction of 23-oxosapogenins | Coautor: Alvarez-Idaboy J.R., Iglesias-Arteaga M.A., Velázquez-Huerta G.A., Méndez-Stivalet J.M., et al. | 2005 | Arkivoc | Scopus-id: 2-s2.0-19944369761
| 0 | 26 |
| 112 | Structure-Reactivity Relationship in Ketones + OH Reactions: A Quantum Mechanical and TST Approach | 1ᵉʳ autor: Alvarez-Idaboy J.R., Cruz-Torres A., Galano A., Ruiz-Santoyo Ma.E. | 2004 | JOURNAL OF PHYSICAL CHEMISTRY A | WoS-id: 000220640000023
Scopus-id: 2-s2.0-2342433466
| 51 | 52 |
| 113 | Quantum mechanical approach to isoleucine + OH gas phase reaction. Mechanism and kinetics | 2ᵒ autor: Alvarez-Idaboy J.R., Galano A., Agacino-Valdés E., Ruiz-Santoyo Ma.E. | 2004 | JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | WoS-id: 000221351100015
Scopus-id: 2-s2.0-1942500896
| 13 | 11 |
| 114 | On the role of s-cis conformers in the reaction of dienes with OH radicals | 2ᵒ autor: Alvarez-Idaboy J.R., Francisco-Márquez M., Galano A., Vivier-Bunge A. | 2004 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | WoS-id: 000221886100047
Scopus-id: 2-s2.0-2942553005
| 22 | 22 |
| 115 | Mechanism and kinetics of the reaction of OH radicals with glyoxal and methylglyoxal: A quantum chemistry + CVT/SCT approach | 2ᵒ autor: Alvarez-Idaboy J.R., Galano A., Ruiz-Santoyo Ma.E., Vivier-Bunge A. | 2004 | Chemphyschem | WoS-id: 000224147700012
Scopus-id: 2-s2.0-5044239488
| 53 | 54 |
| 116 | A theoretical investigation of the mechanism of the NO 3 addition to alkenes | 2ᵒ autor: Raúl Alvarez-Idaboy J., Cartas-Rosado R., Galano-Jiménez A., Vivier-Bunge A. | 2004 | JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | WoS-id: 000224720400008
Scopus-id: 2-s2.0-5544301689
| 14 | 13 |
| 117 | Theoretical study of the initial reaction between OH and isoprene in tropospheric conditions | 2ᵒ autor: Alvarez-Idaboy J.R., Francisco-Márquez M., Galano A., Vivier-Bunge A. | 2003 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | WoS-id: 000181523900010
Scopus-id: 2-s2.0-0037390111
| 47 | 49 |
| 118 | Kinetics and mechanism of the gas-phase OH hydrogen abstraction reaction from methionine: A quantum mechanical approach | 2ᵒ autor: Alvarez-Idaboy J.R., Galano A., Cruz-Torres A., Ruiz-Santoyo M.E. | 2003 | INTERNATIONAL JOURNAL OF CHEMICAL KINETICS | WoS-id: 000182175300005
Scopus-id: 2-s2.0-0038304427
| 21 | 20 |
| 119 | Rate coefficients and mechanism of the gas phase OH hydrogen abstraction reaction from serine: A quantum mechanical approach | 2ᵒ autor: Alvarez-Idaboy J.R., Galano A., Cruz-Torres A., Ruiz-Santoyo M.E. | 2003 | JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | WoS-id: 000184895300018
Scopus-id: 2-s2.0-0042473930
| 21 | 19 |
| 120 | Theoretical study of the initial reaction between OH and isoprene | 2ᵒ autor: Alvarez-Idaboy J.R., Francisco-Márquez M., Galano A., Vivier-Bunge A. | 2003 | Acs, Division Of Environmental Chemistry - Preprints Of Extended Abstracts | Scopus-id: 2-s2.0-27644583063
| 0 | 0 |
| 121 | Quantum chemical and conventional transition-state theory calculations of rate constants for the NO3 + alkane reaction | 2ᵒ autor: Alvarez-Idaboy J.R., Bravo-Pérez G., Cruz-Torres A., Ruíz M.E. | 2002 | JOURNAL OF PHYSICAL CHEMISTRY A | WoS-id: 000175488400026
Scopus-id: 2-s2.0-0037046396
| 49 | 50 |
| 122 | Gas phase reactions of C1-C4 alcohols with the OH radical: A quantum mechanical approach | 2ᵒ autor: Alvarez-Idaboy J.R., Galano A., Bravo-Pérez G., Ruiz-Santoyo M.E. | 2002 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | WoS-id: 000178139300007
Scopus-id: 2-s2.0-0036026466
| 110 | 115 |
| 123 | Rate coefficient and mechanism of the gas phase OH hydrogen abstraction reaction from formic acid: A quantum mechanical approach | 2ᵒ autor: Alvarez-Idaboy J.R., Galano A., Ruiz-Santoyo M.E., Vivier-Bunge A. | 2002 | JOURNAL OF PHYSICAL CHEMISTRY A | WoS-id: 000178548500022
Scopus-id: 2-s2.0-0037126402
| 71 | 74 |
| 124 | Mechanism and rate coefficients of the gas phase OH hydrogen abstraction reaction from asparagine: A quantum mechanical approach | 2ᵒ autor: Alvarez-Idaboy J.Raúl, Galano A., Bravo-Pérez G., Ruiz-Santoyo Ma.E. | 2002 | JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | WoS-id: 000179908700010
Scopus-id: 2-s2.0-0037206408
| 32 | 29 |
| 125 | On the importance of prereactive complexes in molecule-radical reactions: Hydrogen abstraction from aldehydes by OH | 1ᵉʳ autor: Alvarez-Idaboy J.R., Mora-Diez N., Boyd R.J., Vivier-Bunge A. | 2001 | JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | WoS-id: 000167253200029
Scopus-id: 2-s2.0-0035819947
| 261 | 262 |
| 126 | A study of the nucleophilic attack of the beta-lactamic bond of antibiotics in water solution | Coautor: Alvarez-Idaboy J.R., Bounaim L., Smeyers N.J., Gonzalez-Jonte R.H., et al. | 2001 | JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | WoS-id: 000167835500028
Scopus-id: 2-s2.0-0035918008
| 7 | 7 |
| 127 | Rate constant dependence on the size of aldehydes in the NO3 + aldehydes reaction. An explanation via quantum chemical calculations and CTST | 1ᵉʳ autor: Alvarez-Idaboy J.R., Galano A., Bravo-Peréz G., Ruiz Ma.E. | 2001 | JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | WoS-id: 000170730000023
Scopus-id: 2-s2.0-0034803948
| 73 | 73 |
| 128 | Evidence of a possible cycloaddition channel in the ethene + NO3 reaction | Coautor: Alvarez-Idaboy J.R., Cartas-Rosado R., Ruíz Santoyo E.M., Vivier-Bunge A. | 2001 | JOURNAL OF PHYSICAL CHEMISTRY A | WoS-id: 000171506600017
Scopus-id: 2-s2.0-0035846415
| 9 | 9 |
| 129 | OH hydrogen abstraction reactions from alanine and glycine: A quantum mechanical approach | 2ᵒ autor: Alvarez-Idaboy J.R., Galano A., Montero L.A., Vivier-Bunge A. | 2001 | JOURNAL OF COMPUTATIONAL CHEMISTRY | Scopus-id: 2-s2.0-0035425641
| 53 | 56 |
| 130 | A quantum chemical and classical transition state theory explanation of negative activation energies in OH addition to substituted ethenes | 1ᵉʳ autor: Alvarez-Idaboy J.R., Mora-Diez N., Vivier-Bunge A. | 2000 | JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | WoS-id: 000086729500018
Scopus-id: 2-s2.0-0034685523
| 232 | 238 |
| 131 | Reaction mechanism of the acyl-enzyme formation in ß-lactam hydrolysis by means of quantum chemical modeling | 1ᵉʳ autor: Alvarez-Idaboy J.R., González-Jonte R., Hernández-Laguna A., Smeyers Y.G. | 2000 | JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | Scopus-id: 2-s2.0-0343526799
| 12 | 15 |
| 132 | Mechanism of the OH-propene-O2 reaction: An ab initio study | 2ᵒ autor: Alvarez-Idaboy J.R., Díaz-Acosta I., Vivier-Bunge A. | 1999 | INTERNATIONAL JOURNAL OF CHEMICAL KINETICS | WoS-id: 000077719300004
Scopus-id: 2-s2.0-0032800064
| 49 | 53 |
| 133 | Energetics of mechanism of OH-propene reaction at low pressures in inert atmosphere | 1ᵉʳ autor: Alvarez-Idaboy J.R., Díaz-Acosta I., Vivier-Bunge A. | 1998 | JOURNAL OF COMPUTATIONAL CHEMISTRY | Scopus-id: 2-s2.0-0001287689
| 0 | 49 |
| 134 | Nonrigidity of molecules in solvent and its impact on infrared spectrum: Substituted phenols and trimethylamine N-oxide. I | 1ᵉʳ autor: Alvarez-Idaboy J.R., Kryachko E.S. | 1998 | JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | Scopus-id: 2-s2.0-0005379305
| 0 | 3 |
| 135 | Model calculations of matrix effects on the conversion of propene radical cations into allyl radicals in halocarbon matrices | 2ᵒ autor: Alvarez-Idaboy J.R., Salhi-Benachenhou N., Lunell S. | 1997 | ACTA CHEM SCAND | Scopus-id: 2-s2.0-0010676188
| 0 | 1 |
| 136 | Formation of 2-hexene by cationic dimerization of propene: An ab initio and density functional theory study | 2ᵒ autor: Alvarez-Idaboy J.R., Salhi-Benachenhou N., Lunell S., Eriksson L.A. | 1997 | THEORETICAL CHEMISTRY ACCOUNTS | WoS-id: A1997YC02500031
Scopus-id: 2-s2.0-0031285841
| 2 | 2 |
| 137 | Theoretical model of furan and 2-furancarboxaldehyde. The molecular structure and vibrational spectra, including isotopic effects | Coautor: Alvarez-Idaboy J.R., Montera L.A., González-Jonte R., Díaz L.A. | 1994 | J PHYS CHEM-US | WoS-id: A1994NP30100005
Scopus-id: 2-s2.0-0040092536
| 23 | 22 |
| 138 | Theoretical study of reactions of the I-butene radical cation in frozen halocarbon matrices | 1ᵉʳ autor: Alvarez-Idaboy J.R., Eriksson L.A., Lunell S. | 1993 | J PHYS CHEM-US | WoS-id: A1993ML66700019
Scopus-id: 2-s2.0-0000421333
| 11 | 6 |
| 139 | Theoretical investigation of the ethene-ethene radical cation addition reaction | 1ᵉʳ autor: Raul Alvarez-Idaboy J., Eriksson L.A., Fängström T., Lunell S. | 1993 | J PHYS CHEM-US | WoS-id: A1993ML66700018
Scopus-id: 2-s2.0-33751386320
| 23 | 22 |
| 140 | Theoretical approach to cationic polymerization of alkenylfurans. II. Ab initio and semiempirical study of relevant steps in the reaction mechanism | 1ᵉʳ autor: Alvarez-Idaboy J.Raul, Galano Annia, Montero Luis A., Martinez Ricardo | 1992 | JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY | WoS-id: A1992JT36100003
Scopus-id: 2-s2.0-0026953176
| 1 | 1 |
| 141 | Theoretical modelling of the electrophilic substitution mechanism in furan | 1ᵉʳ autor: Alvarez-Idaboy J.R., Montero L.A. | 1992 | JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | Scopus-id: 2-s2.0-44049120023
| 0 | 3 |
| 142 | On the correlation between ionization potentials and bond angles in heterocyclic compounds | Coautor: Alvarez-Idaboy J.R., Montero L.A., Medina S.A., Paneque A., et al. | 1991 | JOURNAL OF MOLECULAR STRUCTURE | WoS-id: A1991GJ32200019
Scopus-id: 2-s2.0-44949272670
| 2 | 3 |
| 143 | Theoretical model of the electrophilic substitution in pentagonal unsaturated heterocycles. Part I. substituent effects by MNDO | 1ᵉʳ autor: Alvarez-Idaboy J.R., Cuza D., Montero L.A., Isoba R. | 1990 | JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | Scopus-id: 2-s2.0-33947402441
| 0 | 5 |
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