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Journal of Chemical Theory and Computation
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November 26, 2015
Accurate Theoretical Description of the (1)La and (1)Lb Excited States in Acenes Using the All Order Constricted Variational Density Functional Theory Method and the Local Density Approximation
Mykhaylo Krykunov, Stefan Grimme, Tom Ziegler
Journal of Chemical Theory and Computation
|
December 5, 2015
Calculation of the Term of Magnetic Circular Dichroism. A Time-Dependent Density Functional Theory Approach
Michael Seth, Jochen Autschbach, Tom Ziegler
The Journal of Chemical Physics
|
May 12, 2007
Development of a sum-over-states density functional theory for both electric and magnetic static response properties
Jochen Autschbach, Michael Seth, Tom Ziegler
The Journal of Physical Chemistry. A
|
May 5, 2006
Self-consistent combination of the three-dimensional RISM theory of molecular solvation with analytical gradients and the Amsterdam density functional package
Sergey Gusarov, Tom Ziegler, Andriy Kovalenko
Inorganic Chemistry
|
January 23, 2010
Electronic structure and circular dichroism of tris(bipyridyl) metal complexes within density functional theory
Jing Fan, Jochen Autschbach, Tom Ziegler
Inorganic Chemistry
|
October 24, 2001
A Density Functional Study of [2+3] versus [2+2] Addition of Ethylene to Chromium-Oxygen Bonds in Chromyl Chloride
Maricel Torrent, Liqun Deng, Tom Ziegler
Wiener Klinische Wochenschrift
|
April 24, 2003
[Autochthonous strongyloidosis in an 81-year-old woman]
Tom Ziegler, Anja Schau, Christina Winkler
The Journal of Chemical Physics
|
April 3, 2012
The implementation of a self-consistent constricted variational density functional theory for the description of excited states
Tom Ziegler, Mykhaylo Krykunov, John Cullen
The Journal of Physical Chemistry. A
|
March 14, 2008
Theoretical comparison of ketene dimerization in the gas and liquid phase
Giovanni Morales, Ramiro Martínez, Tom Ziegler
The Journal of Chemical Physics
|
May 17, 2014
Introducing constricted variational density functional theory in its relaxed self-consistent formulation (RSCF-CV-DFT) as an alternative to adiabatic time dependent density functional theory for studies of charge transfer transitions
Mykhaylo Krykunov, Mike Seth, Tom Ziegler
Page
of 11
Search research articles
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Showing results (31-40 of 108) with videos related to
Sort By:
Page
of 11
Journal of Chemical Theory and Computation
|
November 26, 2015
Accurate Theoretical Description of the (1)La and (1)Lb Excited States in Acenes Using the All Order Constricted Variational Density Functional Theory Method and the Local Density Approximation
Mykhaylo Krykunov, Stefan Grimme, Tom Ziegler
Journal of Chemical Theory and Computation
|
December 5, 2015
Calculation of the Term of Magnetic Circular Dichroism. A Time-Dependent Density Functional Theory Approach
Michael Seth, Jochen Autschbach, Tom Ziegler
The Journal of Chemical Physics
|
May 12, 2007
Development of a sum-over-states density functional theory for both electric and magnetic static response properties
Jochen Autschbach, Michael Seth, Tom Ziegler
The Journal of Physical Chemistry. A
|
May 5, 2006
Self-consistent combination of the three-dimensional RISM theory of molecular solvation with analytical gradients and the Amsterdam density functional package
Sergey Gusarov, Tom Ziegler, Andriy Kovalenko
Inorganic Chemistry
|
January 23, 2010
Electronic structure and circular dichroism of tris(bipyridyl) metal complexes within density functional theory
Jing Fan, Jochen Autschbach, Tom Ziegler
Inorganic Chemistry
|
October 24, 2001
A Density Functional Study of [2+3] versus [2+2] Addition of Ethylene to Chromium-Oxygen Bonds in Chromyl Chloride
Maricel Torrent, Liqun Deng, Tom Ziegler
Wiener Klinische Wochenschrift
|
April 24, 2003
[Autochthonous strongyloidosis in an 81-year-old woman]
Tom Ziegler, Anja Schau, Christina Winkler
The Journal of Chemical Physics
|
April 3, 2012
The implementation of a self-consistent constricted variational density functional theory for the description of excited states
Tom Ziegler, Mykhaylo Krykunov, John Cullen
The Journal of Physical Chemistry. A
|
March 14, 2008
Theoretical comparison of ketene dimerization in the gas and liquid phase
Giovanni Morales, Ramiro Martínez, Tom Ziegler
The Journal of Chemical Physics
|
May 17, 2014
Introducing constricted variational density functional theory in its relaxed self-consistent formulation (RSCF-CV-DFT) as an alternative to adiabatic time dependent density functional theory for studies of charge transfer transitions
Mykhaylo Krykunov, Mike Seth, Tom Ziegler
Page
of 11