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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.
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.
Dalton Transactions (Cambridge, England : 2003)
|
September 20, 2013
Explanation of the site-specific spin crossover in Fe(mtz)6(BF4)2
Andrii Rudavskyi, Remco W A Havenith, Ria Broer, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 29, 2015
Periodic Hartree-Fock and hybrid density functional calculations on the metallic and the insulating phase of (EDO-TTF)2PF6
Gerrit-Jan Linker, Paul H M van Loosdrecht, Piet Th van Duijnen, et al.
The Journal of Physical Chemistry. A
|
March 22, 2018
Can the Dielectric Constant of Fullerene Derivatives Be Enhanced by Side-Chain Manipulation? A Predictive First-Principles Computational Study
Selim Sami, Pi A B Haase, Riccardo Alessandri, et al.
The Journal of Physical Chemistry. A
|
July 27, 2022
Correction to "Off-Planar Geometry and Structural Instability of EDO-TTF Explained by Using the Extended Debye Polarizability Model for Bond Angles"
Gerrit-Jan Linker, Piet Th van Duijnen, Paul H M van Loosdrecht, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 24, 2014
Computational determination of the dominant triplet population mechanism in photoexcited benzophenone
Dumitru-Claudiu Sergentu, Rémi Maurice, Remco W A Havenith, et al.
The Journal of Physical Chemistry. A
|
June 14, 2012
Off-planar geometry and structural instability of EDO-TTF explained by using the extended debye polarizability model for bond angles
Gerrit-Jan Linker, Piet Th van Duijnen, Paul H M van Loosdrecht, et al.
European Journal of Inorganic Chemistry
|
May 5, 2020
Orbital Decomposition of the Carbon Chemical Shielding Tensor in Gold(I) N-Heterocyclic Carbene Complexes
Maria A Izquierdo, Francesco Tarantelli, Ria Broer, et al.
The Journal of Physical Chemistry. A
|
October 20, 2015
Promising Strategy To Improve Charge Separation in Organic Photovoltaics: Installing Permanent Dipoles in PCBM Analogues
Hilde D de Gier, Fatemeh Jahani, Ria Broer, et al.
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Search research articles
Search
Showing results (11-20 of 32) with videos related to
Sort By:
Page
of 4
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.
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.
Dalton Transactions (Cambridge, England : 2003)
|
September 20, 2013
Explanation of the site-specific spin crossover in Fe(mtz)6(BF4)2
Andrii Rudavskyi, Remco W A Havenith, Ria Broer, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 29, 2015
Periodic Hartree-Fock and hybrid density functional calculations on the metallic and the insulating phase of (EDO-TTF)2PF6
Gerrit-Jan Linker, Paul H M van Loosdrecht, Piet Th van Duijnen, et al.
The Journal of Physical Chemistry. A
|
March 22, 2018
Can the Dielectric Constant of Fullerene Derivatives Be Enhanced by Side-Chain Manipulation? A Predictive First-Principles Computational Study
Selim Sami, Pi A B Haase, Riccardo Alessandri, et al.
The Journal of Physical Chemistry. A
|
July 27, 2022
Correction to "Off-Planar Geometry and Structural Instability of EDO-TTF Explained by Using the Extended Debye Polarizability Model for Bond Angles"
Gerrit-Jan Linker, Piet Th van Duijnen, Paul H M van Loosdrecht, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 24, 2014
Computational determination of the dominant triplet population mechanism in photoexcited benzophenone
Dumitru-Claudiu Sergentu, Rémi Maurice, Remco W A Havenith, et al.
The Journal of Physical Chemistry. A
|
June 14, 2012
Off-planar geometry and structural instability of EDO-TTF explained by using the extended debye polarizability model for bond angles
Gerrit-Jan Linker, Piet Th van Duijnen, Paul H M van Loosdrecht, et al.
European Journal of Inorganic Chemistry
|
May 5, 2020
Orbital Decomposition of the Carbon Chemical Shielding Tensor in Gold(I) N-Heterocyclic Carbene Complexes
Maria A Izquierdo, Francesco Tarantelli, Ria Broer, et al.
The Journal of Physical Chemistry. A
|
October 20, 2015
Promising Strategy To Improve Charge Separation in Organic Photovoltaics: Installing Permanent Dipoles in PCBM Analogues
Hilde D de Gier, Fatemeh Jahani, Ria Broer, et al.
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of 4