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The Journal of Chemical Physics
|
March 4, 2005
Energy decompositions according to physical space partitioning schemes
Diego 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" atoms
Diego 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 treatment
Alicia Torre, Diego R Alcoba, Luis Lain, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 15, 2008
Covalent bond orders revisited: the open-shell case
Diego 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 treatment
Diego 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 spin
Alicia 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 Treatment
Diego 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 cumulant
Diego 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 molecules
Diego 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 matrices
Diego R Alcoba, Ofelia B Oña, Alicia Torre, et al.
Page
of 5
Search research articles
Search
Showing results (1-10 of 45) with videos related to
Sort By:
Page
of 5
The Journal of Chemical Physics
|
March 4, 2005
Energy decompositions according to physical space partitioning schemes
Diego 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" atoms
Diego 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 treatment
Alicia Torre, Diego R Alcoba, Luis Lain, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 15, 2008
Covalent bond orders revisited: the open-shell case
Diego 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 treatment
Diego 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 spin
Alicia 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 Treatment
Diego 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 cumulant
Diego 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 molecules
Diego 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 matrices
Diego R Alcoba, Ofelia B Oña, Alicia Torre, et al.
Page
of 5