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Physical Chemistry Chemical Physics : PCCP
|
March 5, 2010
Ab initio study of the antiferromagnetic coupling in the wheel-shaped [Cu20Cl(OH)24(H2O)12(P8W48O184)]25- anion
Coen de Graaf, Xavier López, José Luis Ramos, et al.
Journal of Chemical Theory and Computation
|
April 14, 2020
Reduced Common Molecular Orbital Basis for Nonorthogonal Configuration Interaction
R K Kathir, Coen de Graaf, Ria Broer, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 16, 2016
Biradical character in the ground state of [Mn@Si12](+): a DFT and CASPT2 study
Vaida Arcisauskaite, Domagoj Fijan, Mariano Spivak, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
May 29, 2003
Role of the coordination of the azido bridge in the magnetic coupling of copper(II) binuclear complexes
Jesús Cabrero, Coen de Graaf, Esther Bordas, et al.
Inorganic Chemistry
|
June 4, 2011
Theoretical determination of the zero-field splitting in copper acetate monohydrate
Rémi Maurice, Kanthen Sivalingam, Dmitry Ganyushin, et al.
The Journal of Physical Chemistry. A
|
January 28, 2017
Quantum Chemical Characterization of Single Molecule Magnets Based on Uranium
Mariano Spivak, Konstantinos D Vogiatzis, Christopher J Cramer, et al.
Journal of Computational Chemistry
|
November 14, 2007
On the applicability of multireference second-order perturbation theory to study weak magnetic coupling in molecular complexes
Núria Queralt, David Taratiel, Coen de Graaf, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 1, 2017
Reconciling the valence state with magnetism in mixed-valent polyoxometalates: the case of a {VO<sub>2</sub>F<sub>2</sub>@V<sub>22</sub>O<sub>54</sub>} cluster
Piotr Kozłowski, Almudena Notario-Estévez, Coen de Graaf, et al.
Journal of Computational Chemistry
|
May 22, 2012
Rationalization of the behavior of M2(CH3CS2)4I (M = Ni, Pt) chains at room temperature from periodic density functional theory and ab initio cluster calculations
Zahra Tabookht, Xavier López, Coen de Graaf, et al.
The Journal of Chemical Physics
|
May 17, 2014
Computational approach to the study of thermal spin crossover phenomena
Andrii Rudavskyi, Carmen Sousa, Coen de Graaf, et al.
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Search research articles
Search
Showing results (41-50 of 79) with videos related to
Sort By:
Page
of 8
Physical Chemistry Chemical Physics : PCCP
|
March 5, 2010
Ab initio study of the antiferromagnetic coupling in the wheel-shaped [Cu20Cl(OH)24(H2O)12(P8W48O184)]25- anion
Coen de Graaf, Xavier López, José Luis Ramos, et al.
Journal of Chemical Theory and Computation
|
April 14, 2020
Reduced Common Molecular Orbital Basis for Nonorthogonal Configuration Interaction
R K Kathir, Coen de Graaf, Ria Broer, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 16, 2016
Biradical character in the ground state of [Mn@Si12](+): a DFT and CASPT2 study
Vaida Arcisauskaite, Domagoj Fijan, Mariano Spivak, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
May 29, 2003
Role of the coordination of the azido bridge in the magnetic coupling of copper(II) binuclear complexes
Jesús Cabrero, Coen de Graaf, Esther Bordas, et al.
Inorganic Chemistry
|
June 4, 2011
Theoretical determination of the zero-field splitting in copper acetate monohydrate
Rémi Maurice, Kanthen Sivalingam, Dmitry Ganyushin, et al.
The Journal of Physical Chemistry. A
|
January 28, 2017
Quantum Chemical Characterization of Single Molecule Magnets Based on Uranium
Mariano Spivak, Konstantinos D Vogiatzis, Christopher J Cramer, et al.
Journal of Computational Chemistry
|
November 14, 2007
On the applicability of multireference second-order perturbation theory to study weak magnetic coupling in molecular complexes
Núria Queralt, David Taratiel, Coen de Graaf, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 1, 2017
Reconciling the valence state with magnetism in mixed-valent polyoxometalates: the case of a {VO<sub>2</sub>F<sub>2</sub>@V<sub>22</sub>O<sub>54</sub>} cluster
Piotr Kozłowski, Almudena Notario-Estévez, Coen de Graaf, et al.
Journal of Computational Chemistry
|
May 22, 2012
Rationalization of the behavior of M2(CH3CS2)4I (M = Ni, Pt) chains at room temperature from periodic density functional theory and ab initio cluster calculations
Zahra Tabookht, Xavier López, Coen de Graaf, et al.
The Journal of Chemical Physics
|
May 17, 2014
Computational approach to the study of thermal spin crossover phenomena
Andrii Rudavskyi, Carmen Sousa, Coen de Graaf, et al.
Page
of 8