Shannon-information entropy sum as a correlation measure in atomic systems NL Guevara, RP Sagar, RO Esquivel Physical Review A 67 (1), 012507, 2003 | 134 | 2003 |
Molecular similarity based on information entropies and distances M Hồ, VH Smith Jr, DF Weaver, C Gatti, RP Sagar, RO Esquivel The Journal of chemical physics 108 (13), 5469-5475, 1998 | 91 | 1998 |
Fisher information study in position and momentum spaces for elementary chemical reactions S López-Rosa, RO Esquivel, JC Angulo, J Antolin, JS Dehesa, ... Journal of Chemical Theory and Computation 6 (1), 145-154, 2010 | 82 | 2010 |
Analysis of complexity measures and information planes of selected molecules in position and momentum spaces RO Esquivel, JC Angulo, J Antolín, JS Dehesa, S López-Rosa, ... Physical Chemistry Chemical Physics 12 (26), 7108-7116, 2010 | 78 | 2010 |
Local correlation measures in atomic systems NL Guevara, RP Sagar, RO Esquivel The Journal of chemical physics 122 (8), 2005 | 78 | 2005 |
Quantum entanglement in helium JS Dehesa, T Koga, RJ Yanez, AR Plastino, RO Esquivel Journal of Physics B: Atomic, Molecular and Optical Physics 45 (1), 015504, 2011 | 77 | 2011 |
Physical interpretation of information entropy: numerical evidence of the Collins conjecture RO Esquivel, AL Rodríguez, RP Sagar, M Hô, VH Smith Jr Physical Review A 54 (1), 259, 1996 | 77 | 1996 |
Fisher information and steric effect: Study of the internal rotation barrier of ethane RO Esquivel, S Liu, JC Angulo, JS Dehesa, J Antolín, M Molina-Espíritu The Journal of Physical Chemistry A 115 (17), 4406-4415, 2011 | 76 | 2011 |
Information uncertainty-type inequalities in atomic systems NL Guevara, RP Sagar, RO Esquivel The Journal of chemical physics 119 (14), 7030-7036, 2003 | 71 | 2003 |
A numerical study of molecular information entropies M Hô, RP Sagar, JM Pérez-Jordá, VH Smith Jr, RO Esquivel Chemical physics letters 219 (1-2), 15-20, 1994 | 61 | 1994 |
Accurate electron density and one‐electron properties for the beryllium atom RO Esquivel, AV Bunge International journal of quantum chemistry 32 (3), 295-312, 1987 | 54 | 1987 |
Jaynes information entropy of small molecules: numerical evidence of the Collins conjecture JC Ramírez, C Soriano, RO Esquivel, RP Sagar, M Hô, VH Smith Physical Review A 56 (6), 4477, 1997 | 53 | 1997 |
Phenomenological description of the transition state, and the bond breaking and bond forming processes of selected elementary chemical reactions: an information-theoretic study RO Esquivel, N Flores-Gallegos, C Iuga, EM Carrera, JC Angulo, J Antolín Theoretical Chemistry Accounts 124, 445-460, 2009 | 52 | 2009 |
Pseudoatoms of the electron density KE Edgecombe, RO Esquivel, VH Smith, F Müller‐Plathe The Journal of chemical physics 97 (4), 2593-2599, 1992 | 51 | 1992 |
Simple correlated wave functions for accurate electron densities: An application to neon AV Bunge, RO Esquivel Physical Review A 34 (2), 853, 1986 | 51 | 1986 |
Physicochemical and structural properties of bacteriostatic sulfonamides: Theoretical study C Soriano‐Correa, RO Esquivel, RP Sagar International journal of quantum chemistry 94 (3), 165-172, 2003 | 47 | 2003 |
Pseudoconvexity of the atomic electron density: Lower and upper bounds RO Esquivel, J Chen, MJ Stott, RP Sagar, VH Smith Jr Physical Review A 47 (2), 936, 1993 | 47 | 1993 |
Exchange-correlation potential for small atoms J Chen, RO Esquivel, MJ Stott Philosophical Magazine B 69 (5), 1001-1009, 1994 | 46 | 1994 |
Atomic information entropies beyond the Hartree-Fock limit M Hô, RP Sagar, VH Smith Jr, RO Esquivel Journal of Physics B: Atomic, Molecular and Optical Physics 27 (21), 5149, 1994 | 45 | 1994 |
Shannon entropy of chemical changes: SN2 displacement reactions M Hô, HL Schmider, DF Weaver, VH Smith Jr, RP Sagar, RO Esquivel International Journal of Quantum Chemistry 77 (1), 376-382, 2000 | 43 | 2000 |