Publications by authors named "RO Esquivel"

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I
Information-Theoretic Analysis of Selected Water Force Fields: From Molecular Clusters to Bulk Properties.
Rodolfo O Esquivel, Hazel Vázquez-Hernández, Alexander Pérez de La Luz

Entropy (Basel)· October 2025

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The Separability Problem in Molecular Quantum Systems: Information-Theoretic Framework for Atoms in Molecules.
Rodolfo O Esquivel, Edmundo Carrera

Chemphyschem· July 2024

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3 Information-Theoretic Analysis of the Simplest Hydrogen Abstraction Reaction.
Rodolfo O Esquivel, Moyocoyani Molina-Espíritu, Sheila López-Rosa

J Phys Chem A· August 2023

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Phenomenological description of the acidity of the citric acid and its deprotonated species: informational-theoretical study.
Hazel Vázquez-Hernández, Rodolfo O Esquivel

J Mol Model· July 2023

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Study of the Chemical Space of Selected Bacteriostatic Sulfonamides from an Information Theory Point of View.
Sheila López-Rosa, Moyocoyani Molina-Espíritu, Rodolfo O Esquivel, Catalina Soriano-Correa, Jésus S Dehesa

Chemphyschem· December 2016

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Quantum Entanglement and Chemical Reactivity.
M Molina-Espíritu, R O Esquivel, S López-Rosa, J S Dehesa

J Chem Theory Comput· November 2015

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Predominant information quality scheme for the essential amino acids: an information-theoretical analysis.
Rodolfo O Esquivel, Moyocoyani Molina-Espíritu, Sheila López-Rosa, Catalina Soriano-Correa, Carolina Barrientos-Salcedo

Chemphyschem· August 2015

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Insight into the informational-structure behavior of the Diels-Alder reaction of cyclopentadiene and maleic anhydride.
Moyocoyani Molina-Espíritu, Rodolfo O Esquivel, Miroslav Kohout, Juan Carlos Angulo, José A Dobado

J Mol Model· August 2014

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Fisher information and steric effect: study of the internal rotation barrier of ethane.
Rodolfo O Esquivel, Shubin Liu, Juan Carlos Angulo, Jesús S Dehesa, Juan Antolín

J Phys Chem A· May 2011

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Analysis of complexity measures and information planes of selected molecules in position and momentum spaces.
Rodolfo O Esquivel, Juan Carlos Angulo, Juan Antolín, Jesús S Dehesa, Sheila López-Rosa

Phys Chem Chem Phys· July 2010

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Phenomenological description of a three-center insertion reaction: an information-theoretic study.
Rodolfo O Esquivel, Nelson Flores-Gallegos, Jesús S Dehesa, Juan Carlos Angulo, Juan Antolín

J Phys Chem A· February 2010

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Fisher Information Study in Position and Momentum Spaces for Elementary Chemical Reactions.
Sheila López-Rosa, Rodolfo O Esquivel, Juan Carlos Angulo, Juan Antolín, Jesús S Dehesa

J Chem Theory Comput· January 2010

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Jensen-Tsallis divergence and atomic dissimilarity for position and momentum space electron densities.
J Antolín, S López-Rosa, J C Angulo, R O Esquivel

J Chem Phys· January 2010

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Local correlation measures in atomic systems.
Nicolais L Guevara, Robin P Sagar, Rodolfo O Esquivel

J Chem Phys· February 2005

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Electron correlation in momentum space for the neon-atom isoelectronic sequence from F- through Ar8+.
AN Tripathi, VH Smith, RP Sagar, RO Esquivel

Phys Rev A· September 1996

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Kohn-Sham effective potentials for spin-polarized atomic systems.
J Chen, JB Krieger, RO Esquivel, MJ Stott, GJ Iafrate

Phys Rev A· September 1996

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Physical interpretation of information entropy: Numerical evidence of the Collins conjecture.
RO Esquivel, AL Rodríguez, RP Sagar, M Hô, VH Smith

Phys Rev A· July 1996

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Accurate elastic and inelastic scattering factors from He to Ne using correlated wave functions.
J Wang, RO Esquivel, VH Smith, CF Bunge

Phys Rev A· May 1995

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Pseudoconvexity of the atomic electron density: A numerical study.
RO Esquivel, RP Sagar, VH Smith, J Chen, MJ Stott

Phys Rev A· June 1993

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Nonmonotonicity of the atomic electron momentum density.
RP Sagar, RO Esquivel, H Schmider, AN Tripathi, VH Smith

Phys Rev A· April 1993

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Pseudoconvexity of the atomic electron density: Lower and upper bounds.
RO Esquivel, J Chen, MJ Stott, RP Sagar, VH Smith

Phys Rev A· February 1993

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Electron correlation in momentum space: The beryllium-atom isoelectronic sequence.
AN Tripathi, RP Sagar, RO Esquivel, VH Smith

Phys Rev A· April 1992

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Spin density and density moments for the lithium ground state.
RO Esquivel, AV Bunge, MA Núez

Phys Rev A· April 1991

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Simple correlated wave functions for accurate electron densities: An application to neon.
AV Bunge, RO Esquivel

Phys Rev A Gen Phys· August 1986

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