Reliable theoretical procedures for calculating the rate of methyl radical addition to carbon− Carbon double and triple bonds R Gómez-Balderas, ML Coote, DJ Henry, L Radom The Journal of Physical Chemistry A 108 (15), 2874-2883, 2004 | 139 | 2004 |
Comparison of the kinetics and thermodynamics for methyl radical addition to CC, CO, and CS double bonds DJ Henry, ML Coote, R Gómez-Balderas, L Radom Journal of the American Chemical Society 126 (6), 1732-1740, 2004 | 84 | 2004 |
Ab initio model studies of copper binding to peptides containing a His–His sequence: relevance to the β-amyloid peptide of Alzheimer’s disease DF Raffa, R Gómez-Balderas, P Brunelle, GA Rickard, A Rauk JBIC Journal of Biological Inorganic Chemistry 10, 887-902, 2005 | 79 | 2005 |
First-Principles Prediction of the pKas of Anti-inflammatory Oxicams J Ho, ML Coote, M Franco-Perez, R Gomez-Balderas The Journal of Physical Chemistry A 114 (44), 11992-12003, 2010 | 58 | 2010 |
Determination of pKa values of tenoxicam from 1H NMR chemical shifts and of oxicams from electrophoretic mobilities (CZE) with the aid of programs SQUAD and HYPNMR D Rodríguez-Barrientos, A Rojas-Hernández, A Gutiérrez, ... Talanta 80 (2), 754-762, 2009 | 53 | 2009 |
What is the origin of the contrathermodynamic behavior in methyl radical addition to alkynes versus alkenes? R Gómez-Balderas, ML Coote, DJ Henry, H Fischer, L Radom The Journal of Physical Chemistry A 107 (31), 6082-6090, 2003 | 49 | 2003 |
Binding affinities for models of biologically available potential Cu (II) Ligands relevant to Alzheimer's disease: An ab initio study GA Rickard, R Gomez-Balderas, P Brunelle, DF Raffa, A Rauk The Journal of Physical Chemistry A 109 (37), 8361-8370, 2005 | 44 | 2005 |
Proton affinity of S-containing aromatic compounds: implications for crude oil hydrodesulfurization I García-Cruz, D Valencia, T Klimova, R Oviedo-Roa, ... Journal of Molecular Catalysis A: Chemical 281 (1-2), 79-84, 2008 | 38 | 2008 |
Computational studies of Cu (II)/Met and Cu (I)/Met binding motifs relevant for the chemistry of Alzheimer's disease R Gómez-Balderas, DF Raffa, GA Rickard, P Brunelle, A Rauk The Journal of Physical Chemistry A 109 (24), 5498-5508, 2005 | 25 | 2005 |
[Cu(H2O) n ]2+ (n = 1–6) complexes in solution phase: a DFT hierarchical study EA Galván-García, E Agacino-Valdés, M Franco-Pérez, ... Theoretical Chemistry Accounts 136, 1-14, 2017 | 22 | 2017 |
Theoretical analysis of hydrogen bonding in catechol–n (H 2 O) clusters (n= 0… 3) B Gómez-Zaleta, R Gómez-Balderas, J Hernández-Trujillo Physical Chemistry Chemical Physics 12 (18), 4783-4790, 2010 | 21 | 2010 |
Effect of the pH on the thermodynamic stability of inclusion complexes of thymol and carvacrol in β-cyclodextrin in water OE Cedillo-Flores, N Rodríguez-Laguna, AR Hipólito-Nájera, ... Food Hydrocolloids 124, 107307, 2022 | 20 | 2022 |
Critical micelle concentration of an ammonium salt through DPD simulations using COSMO‐RS–based interaction parameters R Oviedo‐Roa, JM Martínez‐Magadán, A Muñoz‐Colunga, ... AIChE Journal 59 (11), 4413-4423, 2013 | 19 | 2013 |
A DFT study of the electronic structure of cobalt and nickel mono-substituted MoS2 triangular nanosized clusters C Zuriaga-Monroy, JM Martinez-Magadan, E Ramos, R Gomez-Balderas Journal of Molecular Catalysis A: Chemical 313 (1-2), 49-54, 2009 | 17 | 2009 |
Chemical Speciation of the System Cu (II)‐Indomethacin in Ethanol and Water by UV‐Vis Spectrophotometry N Rodríguez-Laguna, LI Reyes-García, R Moya-Hernández, ... Journal of Chemistry 2016 (1), 9804162, 2016 | 16 | 2016 |
Critical micelle concentration of SDS through DPD simulations using COSMO-RS–based interaction parameters, the thermal effects D Nivón-Ramírez, LI Reyes-García, R Oviedo-Roa, R Gómez-Balderas, ... Colloids and Surfaces A: Physicochemical and Engineering Aspects 645, 128867, 2022 | 15 | 2022 |
Interaction of indomethacin–cyclodextrins in water by UV–Vis and ITC AR Hipólito-Nájera, M del Rosario Moya-Hernández, A Rojas-Hernández, ... Journal of Inclusion Phenomena and Macrocyclic Chemistry 95 (1), 55-62, 2019 | 14 | 2019 |
A comparative DFT study of the catalytic activity of the 3d transition metal sulphides surfaces R Gomez-Balderas, R Oviedo-Roa, JM Martı́nez-Magadán, C Amador, ... Surface science 518 (1-2), 163-173, 2002 | 14 | 2002 |
Complex formation of the anti-inflammatory drugs tenoxicam and piroxicam with Fe (III) in methanol and acetone R Moya-Hernandez, R Gomez-Balderas, A Mederos, S Dominguez, ... Journal of Coordination Chemistry 62 (1), 40-51, 2009 | 13 | 2009 |
Introduction to Validation of Analytical Methods: Potentiometric Determination of CO2 AR Hipólito-Nájera, MR Moya-Hernández, R Gomez-Balderas, ... Journal of Chemical Education 94 (9), 1303-1308, 2017 | 11 | 2017 |