How Strong Is the Cα−H···OC Hydrogen Bond? R Vargas, J Garza, DA Dixon, BP Hay Journal of the American Chemical Society 122 (19), 4750-4755, 2000 | 461 | 2000 |
Strength of the NH⊙⊙⊙ OC and CH⊙⊙⊙ OC Bonds in Formamide and N-Methylacetamide Dimers R Vargas, J Garza, RA Friesner, H Stern, BP Hay, DA Dixon The Journal of Physical Chemistry A 105 (20), 4963-4968, 2001 | 199 | 2001 |
Conformational study of the alanine dipeptide at the MP2 and DFT levels R Vargas, J Garza, BP Hay, DA Dixon The Journal of Physical Chemistry A 106 (13), 3213-3218, 2002 | 176 | 2002 |
Antidiarrhoeal activity of Waltheria americana, Commelina coelestis and Alternanthera repens MA Zavala, S Perez, C Perez, R Vargas, RM Perez Journal of Ethnopharmacology 61 (1), 41-47, 1998 | 169 | 1998 |
Carotenoids can act as antioxidants by oxidizing the superoxide radical anion A Galano, R Vargas, A Martínez Physical Chemistry Chemical Physics 12 (1), 193-200, 2010 | 122 | 2010 |
Free radical scavenger properties of α-mangostin: thermodynamics and kinetics of HAT and RAF mechanisms A Martínez, A Galano, R Vargas The Journal of Physical Chemistry B 115 (43), 12591-12598, 2011 | 116 | 2011 |
Structural Criteria for the Rational Design of Selective Ligands. 3. Quantitative Structure− Stability Relationship for Iron (III) Complexation by Tris-Catecholamide Siderophores BP Hay, DA Dixon, R Vargas, J Garza, KN Raymond Inorganic chemistry 40 (16), 3922-3935, 2001 | 100 | 2001 |
Structural criteria for the rational design of selective ligands: convergent hydrogen bonding sites for the nitrate anion BP Hay, M Gutowski, DA Dixon, J Garza, R Vargas, BA Moyer Journal of the American Chemical Society 126 (25), 7925-7934, 2004 | 96 | 2004 |
Spin-potential in Kohn-Sham theory M Galvan, R Vargas The Journal of Physical Chemistry 96 (4), 1625-1630, 1992 | 95 | 1992 |
Substituent effect on a family of quinones in aprotic solvents: an experimental and theoretical approach C Frontana, Á Vázquez-Mayagoitia, J Garza, R Vargas, I González The Journal of Physical Chemistry A 110 (30), 9411-9419, 2006 | 94 | 2006 |
What is important to prevent oxidative stress? A theoretical study on electron-transfer reactions between carotenoids and free radicals A Martinez, R Vargas, A Galano The Journal of Physical Chemistry B 113 (35), 12113-12120, 2009 | 93 | 2009 |
Singlet− Triplet Gaps and Spin Potentials R Vargas, M Galván, A Vela The Journal of Physical Chemistry A 102 (18), 3134-3140, 1998 | 81 | 1998 |
Numerical self-consistent-field method to solve the Kohn-Sham equations in confined many-electron atoms J Garza, R Vargas, A Vela Physical Review E 58 (3), 3949, 1998 | 78 | 1998 |
Orbital energy analysis with respect to LDA and self-interaction corrected exchange-only potentials J Garza, R Vargas, JA Nichols, DA Dixon The Journal of Chemical Physics 114 (2), 639-651, 2001 | 77 | 2001 |
Mean excitation energy, static polarizability, and hyperpolarizability of the spherically confined hydrogen atom A Banerjee, KD Sen, J Garza, R Vargas The Journal of chemical physics 116 (10), 4054-4057, 2002 | 76 | 2002 |
Comparison between the frozen core and finite differences approximations for the generalized spin-dependent global and local reactivity descriptors in small molecules J Garza, R Vargas, A Cedillo, M Galván, PK Chattaraj Theoretical Chemistry Accounts 115, 257-265, 2006 | 67 | 2006 |
Preparation of iridium and platinum films by MOCVD and their properties T Goto, R Vargas, T Hirai Le Journal de Physique IV 3 (C3), C3-297-C3-304, 1993 | 66 | 1993 |
Roothaan’s approach to solve the Hartree-Fock equations for atoms confined by soft walls: Basis set with correct asymptotic behavior M Rodriguez-Bautista, C Díaz-García, AM Navarrete-López, R Vargas, ... The Journal of Chemical Physics 143 (3), 2015 | 63 | 2015 |
Koopmans-like approximation in the Kohn− Sham method and the impact of the frozen core approximation on the computation of the reactivity parameters of the density functional … R Vargas, J Garza, A Cedillo The Journal of Physical Chemistry A 109 (39), 8880-8892, 2005 | 61 | 2005 |
Static dipole polarizability of shell-confined hydrogen atom KD Sen, J Garza, R Vargas, N Aquino Physics Letters A 295 (5-6), 299-304, 2002 | 59 | 2002 |