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The Journal of Chemical Physics
|
December 20, 2012
Note: Energy convexity and density matrices in molecular systems
Roberto C Bochicchio, Diego Rial
The Journal of Chemical Physics
|
December 18, 2023
Quantum states of physical domains in molecular systems: A three-state model approach
Roberto C Bochicchio, Boris Maulén
The Journal of Physical Chemistry. A
|
June 11, 2015
Do Organometallic CH4-Me(+p) Adducts and X4H(+) (X = P, As) Clusters Undergo Two-Electron Three-Center Interactions? Some Aspects of Discussion
Rosana M Lobayan, Roberto C Bochicchio
The Journal of Chemical Physics
|
May 10, 2014
Pairing and unpairing electron densities in organic systems: two-electron three center through space and through bonds interactions
Rosana M Lobayan, Roberto C Bochicchio
The Journal of Chemical Physics
|
December 11, 2013
Communication: reduced density matrices in molecular systems: grand-canonical electron states
Roberto C Bochicchio, Ramón A Miranda-Quintana, Diego Rial
Journal of Molecular Graphics & Modelling
|
January 23, 2022
Topological description of complex patterns of bonding, charge transference and structural changes in chemical reactions: S<sub>N</sub>2 type reactions, a case study
Rosana M Lobayan, Roberto C Bochicchio, Alejandro D Marturet
Journal of Chemical Theory and Computation
|
November 28, 2015
Topology of the Effectively Paired and Unpaired Electron Densities for Complex Bonding Patterns: The Three-Center Two-Electron Bonding Case
Rosana M Lobayan, Roberto C Bochicchio, Alicia Torre, 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.
Page
of 3
Search research articles
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Showing results (1-10 of 23) with videos related to
Sort By:
Page
of 3
The Journal of Chemical Physics
|
December 20, 2012
Note: Energy convexity and density matrices in molecular systems
Roberto C Bochicchio, Diego Rial
The Journal of Chemical Physics
|
December 18, 2023
Quantum states of physical domains in molecular systems: A three-state model approach
Roberto C Bochicchio, Boris Maulén
The Journal of Physical Chemistry. A
|
June 11, 2015
Do Organometallic CH4-Me(+p) Adducts and X4H(+) (X = P, As) Clusters Undergo Two-Electron Three-Center Interactions? Some Aspects of Discussion
Rosana M Lobayan, Roberto C Bochicchio
The Journal of Chemical Physics
|
May 10, 2014
Pairing and unpairing electron densities in organic systems: two-electron three center through space and through bonds interactions
Rosana M Lobayan, Roberto C Bochicchio
The Journal of Chemical Physics
|
December 11, 2013
Communication: reduced density matrices in molecular systems: grand-canonical electron states
Roberto C Bochicchio, Ramón A Miranda-Quintana, Diego Rial
Journal of Molecular Graphics & Modelling
|
January 23, 2022
Topological description of complex patterns of bonding, charge transference and structural changes in chemical reactions: S<sub>N</sub>2 type reactions, a case study
Rosana M Lobayan, Roberto C Bochicchio, Alejandro D Marturet
Journal of Chemical Theory and Computation
|
November 28, 2015
Topology of the Effectively Paired and Unpaired Electron Densities for Complex Bonding Patterns: The Three-Center Two-Electron Bonding Case
Rosana M Lobayan, Roberto C Bochicchio, Alicia Torre, 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.
Page
of 3