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Journal of the American Chemical Society
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April 17, 2003
A theoretical study of the large Hg-Hg spin-spin coupling constants in Hg(2)(2+), Hg(3)(2+), and Hg(2)(2+)-crown ether complexes
Jochen Autschbach, Ciprian D Igna, Tom Ziegler
The Journal of Physical Chemistry. A
|
July 13, 2006
The influence of solvation and finite temperatures on theWittig reaction: A theoretical study
Michael Seth, Hans Martin Senn, Tom Ziegler
The Journal of Chemical Physics
|
November 18, 2011
Calculation of the exchange coupling constants of copper binuclear systems based on spin-flip constricted variational density functional theory
Hristina R Zhekova, Michael Seth, Tom Ziegler
Journal of the American Chemical Society
|
January 20, 2005
On the origin of optical activity in tris-diamine complexes of Co(III) and Rh(III): a simple model based on time-dependent density function theory
Francisco Elias Jorge, Jochen Autschbach, Tom Ziegler
Inorganic Chemistry
|
February 25, 2009
A theoretical study of the magnetic circular dichroism spectrum for sulfite oxidase based on time-dependent density functional theory
Elizabeth Hernandez-Marin, Michael Seth, Tom Ziegler
Inorganic Chemistry
|
January 23, 2010
Density functional theory study of the electron paramagnetic resonance parameters and the magnetic circular dichroism spectrum for model compounds of dimethyl sulfoxide reductase
Elizabeth Hernandez-Marin, Michael Seth, Tom Ziegler
Inorganic Chemistry
|
June 4, 2010
Density functional theory study of the magnetic circular dichroism spectra of molybdenyl complexes
Elizabeth Hernandez-Marin, Michael Seth, Tom Ziegler
The Journal of Physical Chemistry. A
|
September 8, 2009
Implementation of a hybrid DFT method for calculating NMR shieldings using Slater-type orbitals with spin-orbital coupling included. Applications to 187Os, 195Pt, and 13C in heavy-metal complexes
Mykhaylo Krykunov, Tom Ziegler, Erik van Lenthe
Journal of the American Chemical Society
|
January 23, 2003
Theoretical investigation of the apparently irregular behavior of pt-pt nuclear spin-spin coupling constants
Jochen Autschbach, Ciprian D Igna, Tom Ziegler
The Journal of Physical Chemistry. A
|
July 17, 2008
Bond multiplicity in transition-metal complexes: applications of two-electron valence indices
Artur Michalak, Roger L DeKock, Tom Ziegler
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of 11
Search research articles
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Showing results (51-60 of 108) with videos related to
Sort By:
Page
of 11
Journal of the American Chemical Society
|
April 17, 2003
A theoretical study of the large Hg-Hg spin-spin coupling constants in Hg(2)(2+), Hg(3)(2+), and Hg(2)(2+)-crown ether complexes
Jochen Autschbach, Ciprian D Igna, Tom Ziegler
The Journal of Physical Chemistry. A
|
July 13, 2006
The influence of solvation and finite temperatures on theWittig reaction: A theoretical study
Michael Seth, Hans Martin Senn, Tom Ziegler
The Journal of Chemical Physics
|
November 18, 2011
Calculation of the exchange coupling constants of copper binuclear systems based on spin-flip constricted variational density functional theory
Hristina R Zhekova, Michael Seth, Tom Ziegler
Journal of the American Chemical Society
|
January 20, 2005
On the origin of optical activity in tris-diamine complexes of Co(III) and Rh(III): a simple model based on time-dependent density function theory
Francisco Elias Jorge, Jochen Autschbach, Tom Ziegler
Inorganic Chemistry
|
February 25, 2009
A theoretical study of the magnetic circular dichroism spectrum for sulfite oxidase based on time-dependent density functional theory
Elizabeth Hernandez-Marin, Michael Seth, Tom Ziegler
Inorganic Chemistry
|
January 23, 2010
Density functional theory study of the electron paramagnetic resonance parameters and the magnetic circular dichroism spectrum for model compounds of dimethyl sulfoxide reductase
Elizabeth Hernandez-Marin, Michael Seth, Tom Ziegler
Inorganic Chemistry
|
June 4, 2010
Density functional theory study of the magnetic circular dichroism spectra of molybdenyl complexes
Elizabeth Hernandez-Marin, Michael Seth, Tom Ziegler
The Journal of Physical Chemistry. A
|
September 8, 2009
Implementation of a hybrid DFT method for calculating NMR shieldings using Slater-type orbitals with spin-orbital coupling included. Applications to 187Os, 195Pt, and 13C in heavy-metal complexes
Mykhaylo Krykunov, Tom Ziegler, Erik van Lenthe
Journal of the American Chemical Society
|
January 23, 2003
Theoretical investigation of the apparently irregular behavior of pt-pt nuclear spin-spin coupling constants
Jochen Autschbach, Ciprian D Igna, Tom Ziegler
The Journal of Physical Chemistry. A
|
July 17, 2008
Bond multiplicity in transition-metal complexes: applications of two-electron valence indices
Artur Michalak, Roger L DeKock, Tom Ziegler
Page
of 11