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Chirality
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September 17, 2010
A theoretical study on the exciton circular dichroism of propeller-like metal complexes of bipyridine and tripodal tris(2-pyridylmethyl)amine derivatives
Jing Fan, Tom Ziegler
Chirality
|
February 5, 2008
On the origin of circular dichroism in trigonal dihedral d6 complexes of bidentate ligands containing only sigma-orbitals. A qualitative model based on a density functional theory study of Lambda-[Co(en)3]3+
Jing Fan, Tom Ziegler
Chemical Reviews
|
June 9, 2005
Theoretical methods of potential use for studies of inorganic reaction mechanisms
Tom Ziegler, Jochen Autschbach
The Journal of Chemical Physics
|
October 9, 2007
Formulation of magnetically perturbed time-dependent density functional theory
Michael Seth, Tom Ziegler
Journal of the American Chemical Society
|
October 31, 2002
[Ni(0)L]-catalyzed cyclodimerization of 1,3-butadiene: a density functional investigation of the influence of electronic and steric factors on the regulation of the selectivity
Sven Tobisch, Tom Ziegler
Journal of the American Chemical Society
|
June 20, 2002
Stochastic simulations of polymer growth and isomerization in the polymerization of propylene catalyzed by Pd-based diimine catalysts
Artur Michalak, Tom Ziegler
The Journal of Chemical Physics
|
October 29, 2005
A simplified relativistic time-dependent density-functional theory formalism for the calculations of excitation energies including spin-orbit coupling effect
Fan Wang, Tom Ziegler
Journal of the American Chemical Society
|
April 25, 2002
[Ni(0)L]-catalyzed cyclodimerization of 1,3-butadiene: a comprehensive density functional investigation based on the generic [(C(4)H(6))(2)Ni(0)PH(3)] catalyst
Sven Tobisch, Tom Ziegler
Inorganic Chemistry
|
March 14, 2013
A theoretical analysis of supported quintuple and quadruple chromium-chromium bonds
Sylvester Ndambuki, Tom Ziegler
The Journal of Chemical Physics
|
August 24, 2010
On the calculation of charge transfer transitions with standard density functionals using constrained variational density functional theory
Tom Ziegler, Mykhaylo Krykunov
Page
of 11
Search research articles
Search
Showing results (1-10 of 110) with videos related to
Sort By:
Page
of 11
Chirality
|
September 17, 2010
A theoretical study on the exciton circular dichroism of propeller-like metal complexes of bipyridine and tripodal tris(2-pyridylmethyl)amine derivatives
Jing Fan, Tom Ziegler
Chirality
|
February 5, 2008
On the origin of circular dichroism in trigonal dihedral d6 complexes of bidentate ligands containing only sigma-orbitals. A qualitative model based on a density functional theory study of Lambda-[Co(en)3]3+
Jing Fan, Tom Ziegler
Chemical Reviews
|
June 9, 2005
Theoretical methods of potential use for studies of inorganic reaction mechanisms
Tom Ziegler, Jochen Autschbach
The Journal of Chemical Physics
|
October 9, 2007
Formulation of magnetically perturbed time-dependent density functional theory
Michael Seth, Tom Ziegler
Journal of the American Chemical Society
|
October 31, 2002
[Ni(0)L]-catalyzed cyclodimerization of 1,3-butadiene: a density functional investigation of the influence of electronic and steric factors on the regulation of the selectivity
Sven Tobisch, Tom Ziegler
Journal of the American Chemical Society
|
June 20, 2002
Stochastic simulations of polymer growth and isomerization in the polymerization of propylene catalyzed by Pd-based diimine catalysts
Artur Michalak, Tom Ziegler
The Journal of Chemical Physics
|
October 29, 2005
A simplified relativistic time-dependent density-functional theory formalism for the calculations of excitation energies including spin-orbit coupling effect
Fan Wang, Tom Ziegler
Journal of the American Chemical Society
|
April 25, 2002
[Ni(0)L]-catalyzed cyclodimerization of 1,3-butadiene: a comprehensive density functional investigation based on the generic [(C(4)H(6))(2)Ni(0)PH(3)] catalyst
Sven Tobisch, Tom Ziegler
Inorganic Chemistry
|
March 14, 2013
A theoretical analysis of supported quintuple and quadruple chromium-chromium bonds
Sylvester Ndambuki, Tom Ziegler
The Journal of Chemical Physics
|
August 24, 2010
On the calculation of charge transfer transitions with standard density functionals using constrained variational density functional theory
Tom Ziegler, Mykhaylo Krykunov
Page
of 11