| Density functional methods in chemistry JK Labanowski, JW Andzelm Springer Science & Business Media, 2012 | 1430 | 2012 |
| A direct evaluation of regional Fukui functions in molecules RR Contreras, P Fuentealba, M Galván, P Pérez Chemical Physics Letters 304 (5-6), 405-413, 1999 | 518 | 1999 |
| Chemical Reactivity Theory: A Density Functional View P chattaraj | 480 | 2009 |
| Theory of adsorption of atoms and molecules on Si( 111)-(7x7) JJD Brommer, KD, Galván, M, Dal Pino Jr., A Surf. Sci 314, 57-70, 1994 | 207 | 1994 |
| Chemical reactivity in spin-polarized density functional theory M Galvan, A Vela, JL Gázquez The Journal of Physical Chemistry 92 (22), 6470-6474, 1988 | 185 | 1988 |
| Is the fukui function a right descriptor of hard− hard interactions? J Melin, F Aparicio, V Subramanian, M Galván, PK Chattaraj The Journal of Physical Chemistry A 108 (13), 2487-2491, 2004 | 168 | 2004 |
| Density functional theory study of the cooperativity of hydrogen bonds in finite and infinite α-helices J Ireta, J Neugebauer, M Scheffler, A Rojo, M Galvan The Journal of Physical Chemistry B 107 (6), 1432-1437, 2003 | 129 | 2003 |
| DFT study of the adsorption of the corrosion inhibitor 2-mercaptoimidazole onto Fe (1 0 0) surface J Radilla, GE Negrón-Silva, M Palomar-Pardavé, M Romero-Romo, ... Electrochimica Acta 112, 577-586, 2013 | 98 | 2013 |
| Spin-potential in Kohn-Sham theory M Galvan, R Vargas The Journal of Physical Chemistry 96 (4), 1625-1630, 1992 | 95 | 1992 |
| 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 |
| Hardness and softness in the ab initio study of polyatomic systems M Galván, A Dal Pino Jr, JD Joannopoulos Physical review letters 70 (1), 21, 1993 | 75 | 1993 |
| Nucleophilicity index from perturbed electrostatic potentials A Cedillo, R Contreras, M Galvan, A Aizman, J Andrés, VS Safont The Journal of Physical Chemistry A 111 (12), 2442-2447, 2007 | 67 | 2007 |
| 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 | 66 | 2006 |
| Local softness and chemical reactivity of maleimide: nucleophilic addition F Mendez, M Galván, A Garritz, A Vela, J Gàzquez Journal of Molecular Structure: THEOCHEM 277, 81-86, 1992 | 58 | 1992 |
| Fukui function, electronegativity and hardness in the Kohn-Sham Theory JL Gázquez, A Vela, M Galván Electronegativity, 79-97, 2005 | 46 | 2005 |
| On the stability of half-filled shells R Vargas, M Galván The Journal of Physical Chemistry 100 (35), 14651-14654, 1996 | 40 | 1996 |
| Chemical softness and impurity segregation at grain boundaries A Dal Pino Jr, M Galvan, TA Arias, JD Joannopoulos The Journal of chemical physics 98 (2), 1606-1610, 1993 | 39 | 1993 |
| The Markovnikov regioselectivity rule in the light of site activation models A Aizman, R Contreras, M Galván, A Cedillo, JC Santos, E Chamorro The Journal of Physical Chemistry A 106 (34), 7844-7849, 2002 | 38 | 2002 |
| Chemical Reactivity in the {N, NS, v(r)} Space J Melin, F Aparicio, M Galvan, P Fuentealba, R Contreras The Journal of Physical Chemistry A 107 (19), 3831-3835, 2003 | 37 | 2003 |
| Dynamic NMR and X-ray diffraction study of (NB)-diphenyl (2-aminoethoxy) borane derivatives of ephedrines and pseudoephedrines H Höpfl, N Farfán, D Castillo, R Santillan, R Contreras, ... Journal of organometallic chemistry 544 (2), 175-188, 1997 | 36 | 1997 |
