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Rodolfo  O Esquivel
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Shannon-information entropy sum as a correlation measure in atomic systems
NL Guevara, RP Sagar, RO Esquivel
Physical Review A 67 (1), 012507, 2003
1322003
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
891998
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
802010
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
772010
Local correlation measures in atomic systems
NL Guevara, RP Sagar, RO Esquivel
The Journal of chemical physics 122 (8), 2005
772005
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
752011
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
742011
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
741996
Information uncertainty-type inequalities in atomic systems
NL Guevara, RP Sagar, RO Esquivel
The Journal of chemical physics 119 (14), 7030-7036, 2003
712003
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
611994
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
541987
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
521997
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
512009
Pseudoatoms of the electron density
KE Edgecombe, RO Esquivel, VH Smith, F Müller‐Plathe
The Journal of chemical physics 97 (4), 2593-2599, 1992
511992
Simple correlated wave functions for accurate electron densities: An application to neon
AV Bunge, RO Esquivel
Physical Review A 34 (2), 853, 1986
511986
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
471993
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
462003
Exchange-correlation potential for small atoms
J Chen, RO Esquivel, MJ Stott
Philosophical Magazine B 69 (5), 1001-1009, 1994
461994
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
451994
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
432000
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