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Piet Th van Duijnen

Showing results (1-10 of 9) with videos related to

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The Journal of Chemical Physics|October 19, 2005
The first hyperpolarizability of p-nitroaniline in 1,4-dioxane: a quantum mechanical/molecular mechanics studyLasse Jensen, Piet Th van Duijnen
The Journal of Physical Chemistry. A|February 10, 2006
Explicit solvent DRF INDOs/CIS computations of charge transfer state energetics in a pyrenyldeoxyuridine nucleoside modelPiet Th Van Duijnen, Thomas L Netzel
The Journal of Physical Chemistry. A|January 28, 2020
Understanding Trends in Molecular Bond AnglesGerrit-Jan Linker, Piet Th van Duijnen, Ria Broer
The Journal of Chemical Physics|March 3, 2005
Microscopic and macroscopic polarization within a combined quantum mechanics and molecular mechanics modelL Jensen, Marcel Swart, Piet Th van Duijnen
The Journal of Chemical Physics|August 4, 2007
Time-dependent density functional theory/discrete reaction field spectra of open shell systems: The visual spectrum of [FeIII(PyPepS)2]- in aqueous solutionPiet Th van Duijnen, Shannon N Greene, Nigel G J Richards
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)2PF6Gerrit-Jan Linker, Paul H M van Loosdrecht, Piet Th van Duijnen, 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 anglesGerrit-Jan Linker, Piet Th van Duijnen, Paul H M van Loosdrecht, et al.
Journal of the American Chemical Society|August 4, 2005
QM/MM study of the role of the solvent in the formation of the charge separated excited state in 9,9'-bianthrylFerdinand C Grozema, Marcel Swart, Robert W J Zijlstra, et al.
The Journal of Organic Chemistry|October 25, 2001
Chemistry of Unique Chiral Olefins. 4. Theoretical Studies of the Racemization Mechanism of trans- and cis-1,1',2,2',3,3',4,4'-Octahydro-4,4'-biphenanthrylidenesRobert W. J. Zijlstra, Wolter F. Jager, Ben de Lange, et al.
Pageof 1

Showing results (1-10 of 9) with videos related to

Sort By:
Pageof 1
The Journal of Chemical Physics|October 19, 2005
The first hyperpolarizability of p-nitroaniline in 1,4-dioxane: a quantum mechanical/molecular mechanics studyLasse Jensen, Piet Th van Duijnen
The Journal of Physical Chemistry. A|February 10, 2006
Explicit solvent DRF INDOs/CIS computations of charge transfer state energetics in a pyrenyldeoxyuridine nucleoside modelPiet Th Van Duijnen, Thomas L Netzel
The Journal of Physical Chemistry. A|January 28, 2020
Understanding Trends in Molecular Bond AnglesGerrit-Jan Linker, Piet Th van Duijnen, Ria Broer
The Journal of Chemical Physics|March 3, 2005
Microscopic and macroscopic polarization within a combined quantum mechanics and molecular mechanics modelL Jensen, Marcel Swart, Piet Th van Duijnen
The Journal of Chemical Physics|August 4, 2007
Time-dependent density functional theory/discrete reaction field spectra of open shell systems: The visual spectrum of [FeIII(PyPepS)2]- in aqueous solutionPiet Th van Duijnen, Shannon N Greene, Nigel G J Richards
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)2PF6Gerrit-Jan Linker, Paul H M van Loosdrecht, Piet Th van Duijnen, 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 anglesGerrit-Jan Linker, Piet Th van Duijnen, Paul H M van Loosdrecht, et al.
Journal of the American Chemical Society|August 4, 2005
QM/MM study of the role of the solvent in the formation of the charge separated excited state in 9,9'-bianthrylFerdinand C Grozema, Marcel Swart, Robert W J Zijlstra, et al.
The Journal of Organic Chemistry|October 25, 2001
Chemistry of Unique Chiral Olefins. 4. Theoretical Studies of the Racemization Mechanism of trans- and cis-1,1',2,2',3,3',4,4'-Octahydro-4,4'-biphenanthrylidenesRobert W. J. Zijlstra, Wolter F. Jager, Ben de Lange, et al.
Pageof 1