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Journal of Computational Chemistry
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November 15, 2008
On the nature of the pi --> pi* ionic excited states: the V state of ethene as a prototype
Celestino Angeli
The Journal of Chemical Physics
|
March 17, 2016
Spin density and orbital optimization in open shell systems: A rational and computationally efficient proposal
Emmanuel Giner, Celestino Angeli
The Journal of Physical Chemistry. B
|
December 17, 2009
On the Maxwell-Stefan approach to diffusion: a general resolution in the transient regime for one-dimensional systems
Erminia Leonardi, Celestino Angeli
The Journal of Physical Chemistry. A
|
May 3, 2014
Some useful odds and ends from the n-electron valence state perturbation theory
Celestino Angeli, Renzo Cimiraglia
The Journal of Chemical Physics
|
May 17, 2011
The lowest singlet states of octatetraene revisited
Celestino Angeli, Mariachiara Pastore
The Journal of Chemical Physics
|
October 3, 2015
Metal-ligand delocalization and spin density in the CuCl2 and [CuCl4](2-) molecules: Some insights from wave function theory
Emmanuel Giner, Celestino Angeli
The Journal of Physical Chemistry. A
|
October 18, 2008
Aromaticity: an ab initio evaluation of the properly cyclic delocalization energy and the pi-delocalization energy distortivity of benzene
Celestino Angeli, Jean-Paul Malrieu
The Journal of Chemical Physics
|
July 27, 2012
The role of the magnetic orbitals in the calculation of the magnetic coupling constants from multireference perturbation theory methods
Celestino Angeli, Carmen J Calzado
The Journal of Chemical Physics
|
February 13, 2008
Influence of the interaction potential and of the temperature on the thermodiffusion (Soret) coefficient in a model system
Erminia Leonardi, Bruno D'Aguanno, Celestino Angeli
The Journal of Chemical Physics
|
August 28, 2007
Ground states of the Mo2, W2, and CrMo molecules: a second and third order multireference perturbation theory study
Celestino Angeli, Alex Cavallini, Renzo Cimiraglia
Page
of 6
Search research articles
Search
Showing results (1-10 of 57) with videos related to
Sort By:
Page
of 6
Journal of Computational Chemistry
|
November 15, 2008
On the nature of the pi --> pi* ionic excited states: the V state of ethene as a prototype
Celestino Angeli
The Journal of Chemical Physics
|
March 17, 2016
Spin density and orbital optimization in open shell systems: A rational and computationally efficient proposal
Emmanuel Giner, Celestino Angeli
The Journal of Physical Chemistry. B
|
December 17, 2009
On the Maxwell-Stefan approach to diffusion: a general resolution in the transient regime for one-dimensional systems
Erminia Leonardi, Celestino Angeli
The Journal of Physical Chemistry. A
|
May 3, 2014
Some useful odds and ends from the n-electron valence state perturbation theory
Celestino Angeli, Renzo Cimiraglia
The Journal of Chemical Physics
|
May 17, 2011
The lowest singlet states of octatetraene revisited
Celestino Angeli, Mariachiara Pastore
The Journal of Chemical Physics
|
October 3, 2015
Metal-ligand delocalization and spin density in the CuCl2 and [CuCl4](2-) molecules: Some insights from wave function theory
Emmanuel Giner, Celestino Angeli
The Journal of Physical Chemistry. A
|
October 18, 2008
Aromaticity: an ab initio evaluation of the properly cyclic delocalization energy and the pi-delocalization energy distortivity of benzene
Celestino Angeli, Jean-Paul Malrieu
The Journal of Chemical Physics
|
July 27, 2012
The role of the magnetic orbitals in the calculation of the magnetic coupling constants from multireference perturbation theory methods
Celestino Angeli, Carmen J Calzado
The Journal of Chemical Physics
|
February 13, 2008
Influence of the interaction potential and of the temperature on the thermodiffusion (Soret) coefficient in a model system
Erminia Leonardi, Bruno D'Aguanno, Celestino Angeli
The Journal of Chemical Physics
|
August 28, 2007
Ground states of the Mo2, W2, and CrMo molecules: a second and third order multireference perturbation theory study
Celestino Angeli, Alex Cavallini, Renzo Cimiraglia
Page
of 6