Search research articles
Contact Us
Filters
Showing results (1-10 of 10) with videos related to
Page
of 1
Sort By:
Journal of Chemical Theory and Computation
|
December 3, 2015
Nonlinearity of the Bifunctional of the Nonadditive Kinetic Energy: Numerical Consequences in Orbital-Free Embedding Calculations
Marcin Dułak, Tomasz A Wesołowski
Journal of Molecular Modeling
|
March 14, 2007
Interaction energies in non-covalently bound intermolecular complexes derived using the subsystem formulation of density functional theory
Marcin Dułak, Tomasz A Wesołowski
The Journal of Physical Chemistry. A
|
July 20, 2011
Importance of the intermolecular Pauli repulsion in embedding calculations for molecular properties: the case of excitation energies for a chromophore in hydrogen-bonded environments
Georgios Fradelos, Tomasz A Wesołowski
The Journal of Chemical Physics
|
September 8, 2011
Self-consistency in frozen-density embedding theory based calculations
Francesco Aquilante, Tomasz A Wesołowski
The Journal of Chemical Physics
|
May 6, 2006
On the electron leak problem in orbital-free embedding calculations
Marcin Dułak, Tomasz A Wesołowski
Journal of Chemical Theory and Computation
|
December 3, 2015
Equilibrium Geometries of Noncovalently Bound Intermolecular Complexes Derived from Subsystem Formulation of Density Functional Theory
Marcin Dułak, Jakub W Kamiński, Tomasz A Wesołowski
The Journal of Physical Chemistry. A
|
May 4, 2019
Origin of the Solvatochromism in Organic Fluorophores with Flexible Side Chains: A Case Study of Flugi-2
Franziska E Wolff, Sebastian Höfener, Marcus Elstner, et al.
Journal of the American Chemical Society
|
January 16, 2014
Spectral tuning of rhodopsin and visual cone pigments
Xiuwen Zhou, Dage Sundholm, Tomasz A Wesołowski, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
January 3, 2006
Water trapped in dibenzo-18-crown-6: theoretical and spectroscopic (IR, Raman) studies
Marcin Dułak, Rémi Bergougnant, Katharina M Fromm, et al.
Journal of Chemical Theory and Computation
|
September 12, 2019
OpenMolcas: From Source Code to Insight
Ignacio Fdez Galván, Morgane Vacher, Ali Alavi, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 10) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
December 3, 2015
Nonlinearity of the Bifunctional of the Nonadditive Kinetic Energy: Numerical Consequences in Orbital-Free Embedding Calculations
Marcin Dułak, Tomasz A Wesołowski
Journal of Molecular Modeling
|
March 14, 2007
Interaction energies in non-covalently bound intermolecular complexes derived using the subsystem formulation of density functional theory
Marcin Dułak, Tomasz A Wesołowski
The Journal of Physical Chemistry. A
|
July 20, 2011
Importance of the intermolecular Pauli repulsion in embedding calculations for molecular properties: the case of excitation energies for a chromophore in hydrogen-bonded environments
Georgios Fradelos, Tomasz A Wesołowski
The Journal of Chemical Physics
|
September 8, 2011
Self-consistency in frozen-density embedding theory based calculations
Francesco Aquilante, Tomasz A Wesołowski
The Journal of Chemical Physics
|
May 6, 2006
On the electron leak problem in orbital-free embedding calculations
Marcin Dułak, Tomasz A Wesołowski
Journal of Chemical Theory and Computation
|
December 3, 2015
Equilibrium Geometries of Noncovalently Bound Intermolecular Complexes Derived from Subsystem Formulation of Density Functional Theory
Marcin Dułak, Jakub W Kamiński, Tomasz A Wesołowski
The Journal of Physical Chemistry. A
|
May 4, 2019
Origin of the Solvatochromism in Organic Fluorophores with Flexible Side Chains: A Case Study of Flugi-2
Franziska E Wolff, Sebastian Höfener, Marcus Elstner, et al.
Journal of the American Chemical Society
|
January 16, 2014
Spectral tuning of rhodopsin and visual cone pigments
Xiuwen Zhou, Dage Sundholm, Tomasz A Wesołowski, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
January 3, 2006
Water trapped in dibenzo-18-crown-6: theoretical and spectroscopic (IR, Raman) studies
Marcin Dułak, Rémi Bergougnant, Katharina M Fromm, et al.
Journal of Chemical Theory and Computation
|
September 12, 2019
OpenMolcas: From Source Code to Insight
Ignacio Fdez Galván, Morgane Vacher, Ali Alavi, et al.
Page
of 1