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Journal of Computational Chemistry
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March 20, 2019
RASPT2 study of the valence excited states of an iron-porphyrin-carbonyl model complex
Nadia Ben Amor, Marie-Catherine Heitz
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
February 25, 2022
Combining Open-Shell Verdazyl Environment and Co(II) Spin-Crossover: Spinmerism in Cobalt Oxoverdazyl Compound
Pablo Roseiro, Nadia Ben Amor, Vincent Robert
Physical Chemistry Chemical Physics : PCCP
|
April 12, 2014
Switching magnetic interactions in the NiFe Prussian Blue Analogue: an ab initio inspection
Tim Krah, Nadia Ben Amor, Vincent Robert
The Journal of Physical Chemistry. A
|
April 9, 2015
Electronic Spectroscopy of [FePAH](+) Complexes in the Region of the Diffuse Interstellar Bands: Multireference Wave Function Studies on [FeC6H6](+)
Mathieu Lanza, Aude Simon, Nadia Ben Amor
Journal of Molecular Modeling
|
February 6, 2017
Methodological CASPT2 study of the valence excited states of an iron-porphyrin complex
Nadia Ben Amor, Adrien Soupart, Marie-Catherine Heitz
The Journal of Chemical Physics
|
December 31, 2020
Erratum: "Spin polarization as an electronic cooperative effect" [J. Chem. Phys. 153, 044118 (2020)]
Nadia Ben Amor, Georges Trinquier, Jean-Paul Malrieu
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
June 27, 2014
Magnetic coupling constants of self-assembled Cu(II) [3×3] grids: alternative spin model from theoretical calculations
Carmen J Calzado, Nadia Ben Amor, Daniel Maynau
The Journal of Chemical Physics
|
March 26, 2009
A study of the fixed-node error in quantum Monte Carlo calculations of electronic transitions: the case of the singlet n-->pi* (CO) transition of the acrolein
Thomas Bouabça, Nadia Ben Amor, Daniel Maynau, et al.
Journal of Chemical Theory and Computation
|
July 1, 2016
Truncated Transition Densities for Analysis of (Nonlinear) Optical Properties of carbo-Chromophores
Corentin Poidevin, Christine Lepetit, Nadia Ben Amor, et al.
The Journal of Chemical Physics
|
May 17, 2018
Low-lying excited states of model proteins: Performances of the CC2 method versus multireference methods
Nadia Ben Amor, Sophie Hoyau, Daniel Maynau, et al.
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of 6
Search research articles
Search
Showing results (1-10 of 52) with videos related to
Sort By:
Page
of 6
Journal of Computational Chemistry
|
March 20, 2019
RASPT2 study of the valence excited states of an iron-porphyrin-carbonyl model complex
Nadia Ben Amor, Marie-Catherine Heitz
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
February 25, 2022
Combining Open-Shell Verdazyl Environment and Co(II) Spin-Crossover: Spinmerism in Cobalt Oxoverdazyl Compound
Pablo Roseiro, Nadia Ben Amor, Vincent Robert
Physical Chemistry Chemical Physics : PCCP
|
April 12, 2014
Switching magnetic interactions in the NiFe Prussian Blue Analogue: an ab initio inspection
Tim Krah, Nadia Ben Amor, Vincent Robert
The Journal of Physical Chemistry. A
|
April 9, 2015
Electronic Spectroscopy of [FePAH](+) Complexes in the Region of the Diffuse Interstellar Bands: Multireference Wave Function Studies on [FeC6H6](+)
Mathieu Lanza, Aude Simon, Nadia Ben Amor
Journal of Molecular Modeling
|
February 6, 2017
Methodological CASPT2 study of the valence excited states of an iron-porphyrin complex
Nadia Ben Amor, Adrien Soupart, Marie-Catherine Heitz
The Journal of Chemical Physics
|
December 31, 2020
Erratum: "Spin polarization as an electronic cooperative effect" [J. Chem. Phys. 153, 044118 (2020)]
Nadia Ben Amor, Georges Trinquier, Jean-Paul Malrieu
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
June 27, 2014
Magnetic coupling constants of self-assembled Cu(II) [3×3] grids: alternative spin model from theoretical calculations
Carmen J Calzado, Nadia Ben Amor, Daniel Maynau
The Journal of Chemical Physics
|
March 26, 2009
A study of the fixed-node error in quantum Monte Carlo calculations of electronic transitions: the case of the singlet n-->pi* (CO) transition of the acrolein
Thomas Bouabça, Nadia Ben Amor, Daniel Maynau, et al.
Journal of Chemical Theory and Computation
|
July 1, 2016
Truncated Transition Densities for Analysis of (Nonlinear) Optical Properties of carbo-Chromophores
Corentin Poidevin, Christine Lepetit, Nadia Ben Amor, et al.
The Journal of Chemical Physics
|
May 17, 2018
Low-lying excited states of model proteins: Performances of the CC2 method versus multireference methods
Nadia Ben Amor, Sophie Hoyau, Daniel Maynau, et al.
Page
of 6