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Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
September 27, 2012
Relativistic and non-relativistic electronic molecular-structure calculations for dimers of 4p-, 5p-, and 6p-block elements
Sebastian Höfener, Reinhart Ahlrichs, Stefan Knecht, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 5, 2017
Reply to the 'Comment on "Elucidation of charge-transfer SERS selection rules by considering the excited state properties and the role of electrode potential"' by M. Mohammadpour, M. H. Khodabandeh, L. Visscher and Z. Jamshidi, Phys. Chem. Chem. Phys., 2017, 19, 7833
Zahra Jamshidi, Mohammad Hassan Khodabandeh, Mozhdeh Mohammadpour, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 7, 2017
Elucidation of charge-transfer SERS selection rules by considering the excited state properties and the role of electrode potential
Mozhdeh Mohammadpour, Mohammad Hassan Khodabandeh, Lucas Visscher, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 11, 2021
Effects of ligands on (de-)enhancement of plasmonic excitations of silver, gold and bimetallic nanoclusters: TD-DFT+TB calculations
Narges Asadi-Aghbolaghi, Johann Pototschnig, Zahra Jamshidi, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 4, 2008
Calculation of local excitations in large systems by embedding wave-function theory in density-functional theory
André Severo Pereira Gomes, Christoph R Jacob, Lucas Visscher
Journal of Chemical Information and Modeling
|
October 31, 2022
CAT: A Compound Attachment Tool for the Construction of Composite Chemical Compounds
Bas van Beek, Juliette Zito, Lucas Visscher, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 20, 2006
Comparison of frozen-density embedding and discrete reaction field solvent models for molecular properties
Christoph R Jacob, Johannes Neugebauer, Lasse Jensen, et al.
The Journal of Chemical Physics
|
February 15, 2013
An accurate and linear-scaling method for calculating charge-transfer excitation energies and diabatic couplings
Michele Pavanello, Troy Van Voorhis, Lucas Visscher, et al.
Journal of Chemical Theory and Computation
|
January 14, 2020
A Quadratic Pair Atomic Resolution of the Identity Based SOS-AO-MP2 Algorithm Using Slater Type Orbitals
Arno Förster, Mirko Franchini, Erik van Lenthe, et al.
Journal of Chemical Theory and Computation
|
December 1, 2015
Toward a Practical Method for Adaptive QM/MM Simulations
Rosa E Bulo, Bernd Ensing, Jetze Sikkema, et al.
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of 14
Search research articles
Search
Showing results (51-60 of 140) with videos related to
Sort By:
Page
of 14
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
September 27, 2012
Relativistic and non-relativistic electronic molecular-structure calculations for dimers of 4p-, 5p-, and 6p-block elements
Sebastian Höfener, Reinhart Ahlrichs, Stefan Knecht, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 5, 2017
Reply to the 'Comment on "Elucidation of charge-transfer SERS selection rules by considering the excited state properties and the role of electrode potential"' by M. Mohammadpour, M. H. Khodabandeh, L. Visscher and Z. Jamshidi, Phys. Chem. Chem. Phys., 2017, 19, 7833
Zahra Jamshidi, Mohammad Hassan Khodabandeh, Mozhdeh Mohammadpour, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 7, 2017
Elucidation of charge-transfer SERS selection rules by considering the excited state properties and the role of electrode potential
Mozhdeh Mohammadpour, Mohammad Hassan Khodabandeh, Lucas Visscher, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 11, 2021
Effects of ligands on (de-)enhancement of plasmonic excitations of silver, gold and bimetallic nanoclusters: TD-DFT+TB calculations
Narges Asadi-Aghbolaghi, Johann Pototschnig, Zahra Jamshidi, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 4, 2008
Calculation of local excitations in large systems by embedding wave-function theory in density-functional theory
André Severo Pereira Gomes, Christoph R Jacob, Lucas Visscher
Journal of Chemical Information and Modeling
|
October 31, 2022
CAT: A Compound Attachment Tool for the Construction of Composite Chemical Compounds
Bas van Beek, Juliette Zito, Lucas Visscher, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 20, 2006
Comparison of frozen-density embedding and discrete reaction field solvent models for molecular properties
Christoph R Jacob, Johannes Neugebauer, Lasse Jensen, et al.
The Journal of Chemical Physics
|
February 15, 2013
An accurate and linear-scaling method for calculating charge-transfer excitation energies and diabatic couplings
Michele Pavanello, Troy Van Voorhis, Lucas Visscher, et al.
Journal of Chemical Theory and Computation
|
January 14, 2020
A Quadratic Pair Atomic Resolution of the Identity Based SOS-AO-MP2 Algorithm Using Slater Type Orbitals
Arno Förster, Mirko Franchini, Erik van Lenthe, et al.
Journal of Chemical Theory and Computation
|
December 1, 2015
Toward a Practical Method for Adaptive QM/MM Simulations
Rosa E Bulo, Bernd Ensing, Jetze Sikkema, et al.
Page
of 14