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Ofelia B Oña

Showing results (1-10 of 36) with videos related to

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Molecular Simulation|July 26, 2011
Transition from exo- to endo- Cu absorption in CuSi(n) clusters: A Genetic Algorithms Density Functional Theory (DFT) StudyOfelia B Oña, Marta B Ferraro, Julio C Facelli
Journal of Molecular Modeling|May 12, 2017
Analysis of molecular and (di)atomic dual-descriptor functions and matricesDiego R Alcoba, Ofelia B Oña, Alicia Torre, et al.
Physical Chemistry Chemical Physics : PCCP|May 15, 2013
Fukui and dual-descriptor matrices within the framework of spin-polarized density functional theoryDiego R Alcoba, Luis Lain, Alicia Torre, et al.
Journal of Chemical Theory and Computation|December 1, 2015
Theoretical Study of the Structure and Electronic Properties of Si3On(-) and Si6On(-) (n = 1-6) Clusters. Fragmentation and Formation PatternsWilliam Tiznado, Ofelia B Oña, María C Caputo, et al.
The Journal of Chemical Physics|September 7, 2013
Seniority number in spin-adapted spaces and compactness of configuration interaction wave functionsDiego R Alcoba, Alicia Torre, Luis Lain, et al.
The Journal of Chemical Physics|June 23, 2014
Configuration interaction wave functions: a seniority number approachDiego R Alcoba, Alicia Torre, Luis Lain, et al.
The Journal of Physical Chemistry. A|March 11, 2011
Optimized solution procedure of the G-particle-hole hypervirial equation for multiplets: application to doublet and triplet statesDiego R Alcoba, Carmela Valdemoro, Luis M Tel, et al.
Journal of Chemical Theory and Computation|November 25, 2015
Assembling Small Silicon Clusters Using Criteria of Maximum Matching of the Fukui FunctionsEdison Osorio, Marta B Ferraro, Ofelia B Oña, et al.
The Journal of Chemical Physics|September 3, 2020
Variational determination of the two-electron reduced density matrix within the doubly occupied configuration interaction scheme: An extension to the study of open-shell systemsOfelia B Oña, Alicia Torre, Luis Lain, et al.
The Journal of Chemical Physics|July 11, 2016
Spin contamination-free N-electron wave functions in the excitation-based configuration interaction treatmentDiego R Alcoba, Alicia Torre, Luis Lain, et al.
Pageof 4

Showing results (1-10 of 36) with videos related to

Sort By:
Pageof 4
Molecular Simulation|July 26, 2011
Transition from exo- to endo- Cu absorption in CuSi(n) clusters: A Genetic Algorithms Density Functional Theory (DFT) StudyOfelia B Oña, Marta B Ferraro, Julio C Facelli
Journal of Molecular Modeling|May 12, 2017
Analysis of molecular and (di)atomic dual-descriptor functions and matricesDiego R Alcoba, Ofelia B Oña, Alicia Torre, et al.
Physical Chemistry Chemical Physics : PCCP|May 15, 2013
Fukui and dual-descriptor matrices within the framework of spin-polarized density functional theoryDiego R Alcoba, Luis Lain, Alicia Torre, et al.
Journal of Chemical Theory and Computation|December 1, 2015
Theoretical Study of the Structure and Electronic Properties of Si3On(-) and Si6On(-) (n = 1-6) Clusters. Fragmentation and Formation PatternsWilliam Tiznado, Ofelia B Oña, María C Caputo, et al.
The Journal of Chemical Physics|September 7, 2013
Seniority number in spin-adapted spaces and compactness of configuration interaction wave functionsDiego R Alcoba, Alicia Torre, Luis Lain, et al.
The Journal of Chemical Physics|June 23, 2014
Configuration interaction wave functions: a seniority number approachDiego R Alcoba, Alicia Torre, Luis Lain, et al.
The Journal of Physical Chemistry. A|March 11, 2011
Optimized solution procedure of the G-particle-hole hypervirial equation for multiplets: application to doublet and triplet statesDiego R Alcoba, Carmela Valdemoro, Luis M Tel, et al.
Journal of Chemical Theory and Computation|November 25, 2015
Assembling Small Silicon Clusters Using Criteria of Maximum Matching of the Fukui FunctionsEdison Osorio, Marta B Ferraro, Ofelia B Oña, et al.
The Journal of Chemical Physics|September 3, 2020
Variational determination of the two-electron reduced density matrix within the doubly occupied configuration interaction scheme: An extension to the study of open-shell systemsOfelia B Oña, Alicia Torre, Luis Lain, et al.
The Journal of Chemical Physics|July 11, 2016
Spin contamination-free N-electron wave functions in the excitation-based configuration interaction treatmentDiego R Alcoba, Alicia Torre, Luis Lain, et al.
Pageof 4