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Diego R Alcoba

Showing results (1-10 of 45) with videos related to

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The Journal of Chemical Physics|March 4, 2005
Energy decompositions according to physical space partitioning schemesDiego R Alcoba, Alicia Torre, Luis Lain, et al.
Journal of Computational Chemistry|February 14, 2006
An orbital localization criterion based on the theory of "fuzzy" atomsDiego R Alcoba, Luis Lain, Alicia Torre, et al.
The Journal of Physical Chemistry. A|July 13, 2006
Determination of three-center bond indices from population analyses: a fuzzy atom treatmentAlicia Torre, Diego R Alcoba, Luis Lain, et al.
Physical Chemistry Chemical Physics : PCCP|August 15, 2008
Covalent bond orders revisited: the open-shell caseDiego R Alcoba, Roberto C Bochicchio, Luis Lain, et al.
The Journal of Physical Chemistry. A|July 21, 2006
Decomposition of the first-order reduced density matrix: an isopycnic localization treatmentDiego R Alcoba, Roberto C Bochicchio, Alicia Torre, et al.
The Journal of Physical Chemistry. A|January 21, 2010
Relationships between cumulant and spin-density matrices: application to the decomposition of spinAlicia Torre, Diego R Alcoba, Luis Lain, et al.
Journal of Chemical Theory and Computation|November 25, 2015
Determination of Local Spins by Means of a Spin-Free TreatmentDiego R Alcoba, Alicia Torre, Luis Lain, et al.
The Journal of Chemical Physics|September 18, 2007
Energy decompositions according to physical space partitioning schemes: treatments of the density cumulantDiego R Alcoba, Alicia Torre, Luis Lain, et al.
The Journal of Chemical Physics|October 22, 2005
A study of the partitioning of the first-order reduced density matrix according to the theory of atoms in moleculesDiego R Alcoba, Luis Lain, Alicia Torre, et al.
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.
Pageof 5

Showing results (1-10 of 45) with videos related to

Sort By:
Pageof 5
The Journal of Chemical Physics|March 4, 2005
Energy decompositions according to physical space partitioning schemesDiego R Alcoba, Alicia Torre, Luis Lain, et al.
Journal of Computational Chemistry|February 14, 2006
An orbital localization criterion based on the theory of "fuzzy" atomsDiego R Alcoba, Luis Lain, Alicia Torre, et al.
The Journal of Physical Chemistry. A|July 13, 2006
Determination of three-center bond indices from population analyses: a fuzzy atom treatmentAlicia Torre, Diego R Alcoba, Luis Lain, et al.
Physical Chemistry Chemical Physics : PCCP|August 15, 2008
Covalent bond orders revisited: the open-shell caseDiego R Alcoba, Roberto C Bochicchio, Luis Lain, et al.
The Journal of Physical Chemistry. A|July 21, 2006
Decomposition of the first-order reduced density matrix: an isopycnic localization treatmentDiego R Alcoba, Roberto C Bochicchio, Alicia Torre, et al.
The Journal of Physical Chemistry. A|January 21, 2010
Relationships between cumulant and spin-density matrices: application to the decomposition of spinAlicia Torre, Diego R Alcoba, Luis Lain, et al.
Journal of Chemical Theory and Computation|November 25, 2015
Determination of Local Spins by Means of a Spin-Free TreatmentDiego R Alcoba, Alicia Torre, Luis Lain, et al.
The Journal of Chemical Physics|September 18, 2007
Energy decompositions according to physical space partitioning schemes: treatments of the density cumulantDiego R Alcoba, Alicia Torre, Luis Lain, et al.
The Journal of Chemical Physics|October 22, 2005
A study of the partitioning of the first-order reduced density matrix according to the theory of atoms in moleculesDiego R Alcoba, Luis Lain, Alicia Torre, et al.
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.
Pageof 5