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Tom Ziegler

Showing results (11-20 of 110) with videos related to

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The Journal of Chemical Physics|March 4, 2005
The performance of time-dependent density functional theory based on a noncollinear exchange-correlation potential in the calculations of excitation energiesFan Wang, Tom Ziegler
Journal of the American Chemical Society|July 22, 2004
Catalytic oligomerization of ethylene to higher linear alpha-olefins promoted by the cationic group 4 [(eta 5-Cp-(CMe2-bridge)-Ph)MII(ethylene)2]+ (M = Ti, Zr, Hf) active catalysts: a density functional investigation of the influence of the metal on the catalytic activity and selectivitySven Tobisch, Tom Ziegler
Journal of Chemical Theory and Computation|November 20, 2015
Self-consistent Formulation of Constricted Variational Density Functional Theory with Orbital Relaxation. Implementation and ApplicationsMykhaylo Krykunov, Tom Ziegler
Inorganic Chemistry|February 25, 2009
Magnetic circular dichroism spectrum of plastocyanin by calculationMichael Seth, Tom Ziegler
The Journal of Chemical Physics|December 3, 2005
Theoretical study of the electronic spectra of square-planar platinum (II) complexes based on the two-component relativistic time-dependent density-functional theoryFan Wang, Tom Ziegler
Proceedings of the National Academy of Sciences of the United States of America|October 13, 2006
"Dormant" secondary metal-alkyl complexes are not omnipresentZygmunt Flisak, Tom Ziegler
Inorganic Chemistry|December 10, 2002
A density functional study of S(N)2 substitution at square-planar platinum(II) complexesJason Cooper, Tom Ziegler
The Journal of Chemical Physics|April 22, 2006
Calculation of excitation energies of open-shell molecules with spatially degenerate ground states. II. Transformed reference via intermediate configuration Kohn-Sham time dependent density functional theory oscillator strengths and magnetic circular dichroism C termsMichael Seth, Tom Ziegler
The Journal of Chemical Physics|October 22, 2005
Calculation of excitation energies of open-shell molecules with spatially degenerate ground states. I. Transformed reference via an intermediate configuration Kohn-Sham density-functional theory and applications to d1 and d2 systems with octahedral and tetrahedral symmetriesMichael Seth, Tom Ziegler
Inorganic Chemistry|April 29, 2008
On the origin of circular dichroism in trigonal dihedral cobalt (III) complexes of unsaturated bidentate ligandsJing Fan, Tom Ziegler
Pageof 11

Showing results (11-20 of 110) with videos related to

Sort By:
Pageof 11
The Journal of Chemical Physics|March 4, 2005
The performance of time-dependent density functional theory based on a noncollinear exchange-correlation potential in the calculations of excitation energiesFan Wang, Tom Ziegler
Journal of the American Chemical Society|July 22, 2004
Catalytic oligomerization of ethylene to higher linear alpha-olefins promoted by the cationic group 4 [(eta 5-Cp-(CMe2-bridge)-Ph)MII(ethylene)2]+ (M = Ti, Zr, Hf) active catalysts: a density functional investigation of the influence of the metal on the catalytic activity and selectivitySven Tobisch, Tom Ziegler
Journal of Chemical Theory and Computation|November 20, 2015
Self-consistent Formulation of Constricted Variational Density Functional Theory with Orbital Relaxation. Implementation and ApplicationsMykhaylo Krykunov, Tom Ziegler
Inorganic Chemistry|February 25, 2009
Magnetic circular dichroism spectrum of plastocyanin by calculationMichael Seth, Tom Ziegler
The Journal of Chemical Physics|December 3, 2005
Theoretical study of the electronic spectra of square-planar platinum (II) complexes based on the two-component relativistic time-dependent density-functional theoryFan Wang, Tom Ziegler
Proceedings of the National Academy of Sciences of the United States of America|October 13, 2006
"Dormant" secondary metal-alkyl complexes are not omnipresentZygmunt Flisak, Tom Ziegler
Inorganic Chemistry|December 10, 2002
A density functional study of S(N)2 substitution at square-planar platinum(II) complexesJason Cooper, Tom Ziegler
The Journal of Chemical Physics|April 22, 2006
Calculation of excitation energies of open-shell molecules with spatially degenerate ground states. II. Transformed reference via intermediate configuration Kohn-Sham time dependent density functional theory oscillator strengths and magnetic circular dichroism C termsMichael Seth, Tom Ziegler
The Journal of Chemical Physics|October 22, 2005
Calculation of excitation energies of open-shell molecules with spatially degenerate ground states. I. Transformed reference via an intermediate configuration Kohn-Sham density-functional theory and applications to d1 and d2 systems with octahedral and tetrahedral symmetriesMichael Seth, Tom Ziegler
Inorganic Chemistry|April 29, 2008
On the origin of circular dichroism in trigonal dihedral cobalt (III) complexes of unsaturated bidentate ligandsJing Fan, Tom Ziegler
Pageof 11