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Journal of Computational Chemistry
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February 14, 2008
On the performance of some aromaticity indices: a critical assessment using a test set
Ferran Feixas, Eduard Matito, Jordi Poater, et al.
The Journal of Chemical Physics
|
November 2, 2015
H4: A challenging system for natural orbital functional approximations
Eloy Ramos-Cordoba, Xabier Lopez, Mario Piris, et al.
The Journal of Physical Chemistry. B
|
April 8, 2006
Bonding in methylalkalimetals (CH(3)M)(n) (M = Li, Na, K; n = 1, 4). Agreement and divergences between AIM and ELF analyses
Eduard Matito, Jordi Poater, F Matthias Bickelhaupt, et al.
Journal of Chemical Theory and Computation
|
November 25, 2015
Toward a Unique Definition of the Local Spin
Eloy Ramos-Cordoba, Eduard Matito, István Mayer, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 6, 2022
Three-centre electron sharing indices (3c-ESIs) as a tool to differentiate among (an)agostic interactions and hydrogen bonds in transition metal complexes
Yago García-Rodeja, Ferran Feixas, Eduard Matito, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 12, 2012
Local spins: improved Hilbert-space analysis
Eloy Ramos-Cordoba, Eduard Matito, Pedro Salvador, et al.
The Journal of Chemical Physics
|
December 22, 2014
Two new constraints for the cumulant matrix
Eloy Ramos-Cordoba, Pedro Salvador, Mario Piris, et al.
Journal of Chemical Theory and Computation
|
December 1, 2015
Electron Localization Function at the Correlated Level: A Natural Orbital Formulation
Ferran Feixas, Eduard Matito, Miquel Duran, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 26, 2017
Electron correlation effects in third-order densities
Mauricio Rodriguez-Mayorga, Eloy Ramos-Cordoba, Ferran Feixas, et al.
Journal of Computational Chemistry
|
August 31, 2010
Performance of 3D-space-based atoms-in-molecules methods for electronic delocalization aromaticity indices
Wouter Heyndrickx, Pedro Salvador, Patrick Bultinck, et al.
Page
of 10
Search research articles
Search
Showing results (31-40 of 99) with videos related to
Sort By:
Page
of 10
Journal of Computational Chemistry
|
February 14, 2008
On the performance of some aromaticity indices: a critical assessment using a test set
Ferran Feixas, Eduard Matito, Jordi Poater, et al.
The Journal of Chemical Physics
|
November 2, 2015
H4: A challenging system for natural orbital functional approximations
Eloy Ramos-Cordoba, Xabier Lopez, Mario Piris, et al.
The Journal of Physical Chemistry. B
|
April 8, 2006
Bonding in methylalkalimetals (CH(3)M)(n) (M = Li, Na, K; n = 1, 4). Agreement and divergences between AIM and ELF analyses
Eduard Matito, Jordi Poater, F Matthias Bickelhaupt, et al.
Journal of Chemical Theory and Computation
|
November 25, 2015
Toward a Unique Definition of the Local Spin
Eloy Ramos-Cordoba, Eduard Matito, István Mayer, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 6, 2022
Three-centre electron sharing indices (3c-ESIs) as a tool to differentiate among (an)agostic interactions and hydrogen bonds in transition metal complexes
Yago García-Rodeja, Ferran Feixas, Eduard Matito, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 12, 2012
Local spins: improved Hilbert-space analysis
Eloy Ramos-Cordoba, Eduard Matito, Pedro Salvador, et al.
The Journal of Chemical Physics
|
December 22, 2014
Two new constraints for the cumulant matrix
Eloy Ramos-Cordoba, Pedro Salvador, Mario Piris, et al.
Journal of Chemical Theory and Computation
|
December 1, 2015
Electron Localization Function at the Correlated Level: A Natural Orbital Formulation
Ferran Feixas, Eduard Matito, Miquel Duran, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 26, 2017
Electron correlation effects in third-order densities
Mauricio Rodriguez-Mayorga, Eloy Ramos-Cordoba, Ferran Feixas, et al.
Journal of Computational Chemistry
|
August 31, 2010
Performance of 3D-space-based atoms-in-molecules methods for electronic delocalization aromaticity indices
Wouter Heyndrickx, Pedro Salvador, Patrick Bultinck, et al.
Page
of 10