| Substituent inductive effects on the electrochemical oxidation of flavonoids studied by square wave voltammetry and ab initio calculations N Arroyo-Currás, VM Rosas-García, M Videa Molecules 21 (11), 1422, 2016 | 25 | 2016 |
| The electron cusp condition and the virial ratio as indicators of basis set quality VM Rosas-Garcia, TD Crawford The Journal of chemical physics 118 (6), 2491-2497, 2003 | 10 | 2003 |
| The aminoboranylidene–iminoborane isomerization VM Rosas-Garcia, TD Crawford The Journal of chemical physics 119 (20), 10647-10652, 2003 | 9 | 2003 |
| Molecules for intramolecular recognition. 2. Synthesis and structures of dinaphthyl-and arylnaphthylethynes. P Prince, KL Evans, VM Rosas-García, RD Gandour, FR Fronczek Tetrahedron letters 33 (43), 6431-6434, 1992 | 9 | 1992 |
| Ab initio calculations and reduced density gradient analyses of the structure and energetics of hydrated calcium fluoride and calcium carbonate I del Carmen Sáenz-Tavera, VM Rosas-García Physical Chemistry Chemical Physics 21 (10), 5744-5758, 2019 | 8 | 2019 |
| Conformationally-dependent free energies of solvation. An explanation for the large group-transfer potential of acetylcarnitine VM Rosas-García, RD Gandour Journal of the American Chemical Society 119 (32), 7587-7588, 1997 | 8 | 1997 |
| Onset of Amorphous Structure in CaCO3: Geometric and Electronic Structures of (CaCO3) n (n = 2–7) Clusters by Ab Initio Calculations VM Rosas-García, I del Carmen Sáenz-Tavera, DE Cantú-Morales Journal of Cluster Science 23, 203-219, 2012 | 7 | 2012 |
| Microsolvation and hydration enthalpies of CaC 2 O 4 (H 2 O) n (n= 0-16) and C 2 O 4 2-(H 2 O) n (n= 0-14): an ab initio study VM Rosas-García, I del Carmen Sáenz-Tavera, VJ Rodríguez-Herrera, ... Journal of Molecular Modeling 19, 1459-1471, 2013 | 6 | 2013 |
| Ring puckering in group 14 β-diketiminate chlorometallylenes is of quantum-mechanical origin VM Rosas-García, VM Jiménez-Pérez Polyhedron 42 (1), 182-189, 2012 | 6 | 2012 |
| The electronic structure of substituted iminoboranes VM Rosas-Garcia Computational and Theoretical Chemistry 967 (1), 160-164, 2011 | 6 | 2011 |
| Potential oxygen-carrying complexes by desing VM Rosas García, P Elizondo Martínez, N Pérez Rodríguez, ... Química Hoy 2 (4), 30-33, 2012 | 5 | 2012 |
| A computational study of axial vs. equatorial preferences of phenyl-substituted phosphorinane oxides VM Rosas-Garcia, ST Lopez-Cortina, A Chavarria-Resendez Journal of Molecular Structure: THEOCHEM 958 (1-3), 133-136, 2010 | 4 | 2010 |
| Theoretical Modeling of Photocatalytic Degradation Mechanism of Ethylene Over TiO2 VM Rosas-García, A García-Pastrana, I del Carmen Sáenz-Tavera IEEE Transactions on NanoBioscience 21 (1), 144-148, 2021 | 2 | 2021 |
| Microsolvation and hydration enthalpies of CaS2O3(H2O) n (n = 0–19) and S2O3 2−(H2O) n (n = 0 … VM Rosas-García, IC Sáenz-Tavera, MR Rojas-Unda Journal of Molecular Modeling 21, 1-9, 2015 | 2 | 2015 |
| Application of Molecular Dynamics Simulation to Small Systems VM Rosas-García, I Sáenz-Tavera Molecular Dynamics-Theoretical Developments and Applications in …, 2012 | 2 | 2012 |
| Not all carboxylates are created equal: Differences in interaction of carboxylated peptides with a CaCO3 dimer VM Rosas-García, I de León-Abarte, G Vidal-López, A Palacios-Pargas, ... Biophysical Chemistry 192, 27-32, 2014 | 1 | 2014 |
| Microsolvation and hydration enthalpies of CaC₂O₄ (H₂O) n (n= 0-16) and C₂O₄²⁻(H₂O) n (n= 0-14): an ab initio study. VM Rosas-García, I del Carmen Sáenz-Tavera, VJ Rodríguez-Herrera, ... Journal of Molecular Modeling 19 (4), 1459-1471, 2012 | 1 | 2012 |
| Computational study on the dimerization of indoloquinolizines VM Rosas-García, T Alfaro-López Journal of Molecular Structure: THEOCHEM 719 (1-3), 225-228, 2005 | 1 | 2005 |
| Energetics of the non-covalent interactions in the acetonechloroform system by MP2/CBS quantum chemical calculations VM Rosas-Garcia, CA Alanís-Cuevas | | 2023 |
| Analysis of non-covalent interactions in the acetone-chloroform system by MP2/CBS quantum chemical calculations VM Rosas-García, CA Alanís-Cuevas | | 2023 |
Isabel del Carmen Sáenz TaveraIndustrial Chemistry, Universidad Autónoma de Nuevo LeónCorreu electrònic verificat a uanl.mx