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Article(4)
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International Journal of Quantum Chemistry(1)
Journal of Physical Chemistry A(1)
Molecular Physics(1)
Theoretical Chemistry Accounts(1)
Non-born-oppenheimer nuclear and electronic densities for a hooke-coulomb model for a four-particle system
ArticleAbstract: Based on the exact solutions for a non-Born-Oppenheimer (nBO) Hooke-Coulomb model for a four-particlPalabras claves:Molecular structure, Non-Born-Oppenheimer, one-particle densityAutores:Eduardo V. Ludeña, Marcos Becerra, Víctor PosliguaFuentes:scopusOn the separation of the information content of the Fermi and Coulomb holes and their influence on the electronic properties of molecular systems
ArticleAbstract: In this paper, two information-based functions are employed as a real space measure of the Fermi andPalabras claves:Coulomb hole, electron correlation, Electron localisation, Fermi hole, Kullback–Leibler divergenceAutores:Almeida R., Fernando Javier Torres, Fritsch A., Liu S., Luis Rincon, Marcos BecerraFuentes:googlescopusOn the thermodynamic stability of the intermolecular association between Lewis acids and Lewis bases: a DFT study
ArticleAbstract: The intermolecular association of twelve combinations of six different Lewis acids and Lewis bases (Palabras claves:Classical Lewis adducts, Electronic effects, Frustrated Lewis pairs, Steric effectsAutores:Almeida R., Carlos Espinosa-Gavilanes, César H. Zambrano, Fernando Javier Torres, Luis Rincon, Marcos Becerra, Misael Real-EnriquezFuentes:scopusShannon Entropy and Fisher Information from a Non-Born-Oppenheimer Perspective
ArticleAbstract: We study the Shannon entropy and the Fisher information in a non-Born-Oppenheimer (nBO) regime, wherPalabras claves:Autores:Eduardo V. Ludeña, Fernando Javier Torres, Liu S., Luis Rincon, Marcos BecerraFuentes:scopus