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Coen de Graaf

Showing results (51-60 of 79) with videos related to

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Dalton Transactions (Cambridge, England : 2003)|September 20, 2013
Explanation of the site-specific spin crossover in Fe(mtz)6(BF4)2Andrii Rudavskyi, Remco W A Havenith, Ria Broer, et al.
Journal of Chemical Theory and Computation|November 27, 2015
Universal Theoretical Approach to Extract Anisotropic Spin HamiltoniansRémi Maurice, Roland Bastardis, Coen de Graaf, et al.
Accounts of Chemical Research|August 24, 2021
Insights from Adsorption and Electron Modification Studies of Polyoxometalates on Surfaces for Molecular Memory ApplicationsMarco Moors, Jonas Warneke, Xavier López, et al.
Physical Chemistry Chemical Physics : PCCP|April 5, 2013
Impact of short and long-range effects on the magnetic interactions in neutral organic radical-based materialsAlex Domingo, Martin Vérot, Fernando Mota, et al.
The Journal of Physical Chemistry. A|December 12, 2023
Comparison of Computational Strategies for the Calculation of the Electronic Coupling in Intermolecular Energy and Electron Transport ProcessesXavier López, Aitor Sánchez-Mansilla, Carmen Sousa, et al.
Physical Chemistry Chemical Physics : PCCP|June 21, 2018
Decoding the role of encapsulated ions in the electronic and magnetic properties of mixed-valence polyoxovanadate capsules {X@V<sub>22</sub>O<sub>54</sub>} (X = ClO<sub>4</sub><sup>-</sup>, SCN<sup>-</sup>, VO<sub>2</sub>F<sub>2</sub><sup>-</sup>): a combined theoretical approachAlmudena Notario-Estévez, Piotr Kozłowski, Oliver Linnenberg, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|November 9, 2013
Ultrafast deactivation mechanism of the excited singlet in the light-induced spin crossover of [Fe(2,2'-bipyridine)3]2+Carmen Sousa, Coen de Graaf, Andrii Rudavskyi, et al.
Journal of the American Chemical Society|September 15, 2007
Polyoxometalates with internal cavities: redox activity, basicity, and cation encapsulation in [Xn+P5W30O110](15-n)- Preyssler complexes, with X = Na+, Ca2+, Y3+, La3+, Ce3+, and Th4+Jorge A Fernandez, Xavier López, Carles Bo, et al.
Journal of Chemical Theory and Computation|November 19, 2015
Accuracy of embedded fragment calculation for evaluating electron interactions in mixed valence magnetic systems: study of 2e-reduced lindqvist polyoxometalatesNicolas Suaud, Xavier López, Nadia Ben Amor, et al.
Journal of Chemical Theory and Computation|December 8, 2015
Highly Reduced Polyoxometalates:  Ab Initio and DFT Study of [PMo8V4O40(VO)4](5)(.)Xavier López, Coen de Graaf, Joan Miquel Maestre, et al.
Pageof 8

Showing results (51-60 of 79) with videos related to

Sort By:
Pageof 8
Dalton Transactions (Cambridge, England : 2003)|September 20, 2013
Explanation of the site-specific spin crossover in Fe(mtz)6(BF4)2Andrii Rudavskyi, Remco W A Havenith, Ria Broer, et al.
Journal of Chemical Theory and Computation|November 27, 2015
Universal Theoretical Approach to Extract Anisotropic Spin HamiltoniansRémi Maurice, Roland Bastardis, Coen de Graaf, et al.
Accounts of Chemical Research|August 24, 2021
Insights from Adsorption and Electron Modification Studies of Polyoxometalates on Surfaces for Molecular Memory ApplicationsMarco Moors, Jonas Warneke, Xavier López, et al.
Physical Chemistry Chemical Physics : PCCP|April 5, 2013
Impact of short and long-range effects on the magnetic interactions in neutral organic radical-based materialsAlex Domingo, Martin Vérot, Fernando Mota, et al.
The Journal of Physical Chemistry. A|December 12, 2023
Comparison of Computational Strategies for the Calculation of the Electronic Coupling in Intermolecular Energy and Electron Transport ProcessesXavier López, Aitor Sánchez-Mansilla, Carmen Sousa, et al.
Physical Chemistry Chemical Physics : PCCP|June 21, 2018
Decoding the role of encapsulated ions in the electronic and magnetic properties of mixed-valence polyoxovanadate capsules {X@V<sub>22</sub>O<sub>54</sub>} (X = ClO<sub>4</sub><sup>-</sup>, SCN<sup>-</sup>, VO<sub>2</sub>F<sub>2</sub><sup>-</sup>): a combined theoretical approachAlmudena Notario-Estévez, Piotr Kozłowski, Oliver Linnenberg, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|November 9, 2013
Ultrafast deactivation mechanism of the excited singlet in the light-induced spin crossover of [Fe(2,2'-bipyridine)3]2+Carmen Sousa, Coen de Graaf, Andrii Rudavskyi, et al.
Journal of the American Chemical Society|September 15, 2007
Polyoxometalates with internal cavities: redox activity, basicity, and cation encapsulation in [Xn+P5W30O110](15-n)- Preyssler complexes, with X = Na+, Ca2+, Y3+, La3+, Ce3+, and Th4+Jorge A Fernandez, Xavier López, Carles Bo, et al.
Journal of Chemical Theory and Computation|November 19, 2015
Accuracy of embedded fragment calculation for evaluating electron interactions in mixed valence magnetic systems: study of 2e-reduced lindqvist polyoxometalatesNicolas Suaud, Xavier López, Nadia Ben Amor, et al.
Journal of Chemical Theory and Computation|December 8, 2015
Highly Reduced Polyoxometalates:  Ab Initio and DFT Study of [PMo8V4O40(VO)4](5)(.)Xavier López, Coen de Graaf, Joan Miquel Maestre, et al.
Pageof 8