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Tom Ziegler

Showing results (41-50 of 108) with videos related to

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The Journal of Chemical Physics|December 3, 2008
Application of magnetically perturbed time-dependent density functional theory to magnetic circular dichroism. III. Temperature-dependent magnetic circular dichroism induced by spin-orbit couplingMichael Seth, Tom Ziegler, Jochen Autschbach
The Journal of Chemical Physics|April 20, 2005
Ab initio calculation of the C/D ratio of magnetic circular dichroismMichael Seth, Tom Ziegler, Jochen Autschbach
Journal of Chemical Theory and Computation|November 18, 2015
Applications of Time-Dependent and Time-Independent Density Functional Theory to Electronic Transitions in Tetrahedral d(0) Metal OxidesIssaka Seidu, Mykhaylo Krykunov, Tom Ziegler
The Journal of Physical Chemistry. A|October 17, 2014
Applications of time-dependent and time-independent density functional theory to Rydberg transitionsIssaka Seidu, Mykhaylo Krykunov, Tom Ziegler
Inorganic Chemistry|July 17, 2013
Role played by isopropyl substituents in stabilizing the putative triple bond in Ar'EEAr' [E = Si, Ge, Sn; Ar' = C6H3-2,6-(C6H3-2,6-Pr(i)2)2] and Ar*PbPbAr* [Ar* = C6H3-2,6-(C6H2-2,4,6-Pr(i)3)2]Issaka Seidu, Michael Seth, Tom Ziegler
Journal of Chemical Theory and Computation|November 26, 2015
The Application of Constricted Variational Density Functional Theory to Excitations Involving Electron Transitions from Occupied Lone-Pair Orbitals to Virtual π* OrbitalsTom Ziegler, Mykhaylo Krykunov, John Cullen
Journal of Chemical Theory and Computation|November 25, 2015
Introduction of a New Theory for the Calculation of Magnetic Coupling Based on Spin-Flip Constricted Variational Density Functional Theory. Application to Trinuclear Copper Complexes which Model the Native Intermediate in Multicopper OxidasesHristina Zhekova, Michel Seth, Tom Ziegler
The Journal of Physical Chemistry. A|February 13, 2008
Bond orbitals from chemical valence theoryArtur Michalak, Mariusz Mitoraj, Tom Ziegler
Journal of Chemical Theory and Computation|November 21, 2015
Derivation of the RPA (Random Phase Approximation) Equation of ATDDFT (Adiabatic Time Dependent Density Functional Ground State Response Theory) from an Excited State Variational Approach Based on the Ground State FunctionalTom Ziegler, Mykhaylo Krykunov, Jochen Autschbach
Journal of Chemical Theory and Computation|November 27, 2015
A Combined Charge and Energy Decomposition Scheme for Bond AnalysisMariusz P Mitoraj, Artur Michalak, Tom Ziegler
Pageof 11

Showing results (41-50 of 108) with videos related to

Sort By:
Pageof 11
The Journal of Chemical Physics|December 3, 2008
Application of magnetically perturbed time-dependent density functional theory to magnetic circular dichroism. III. Temperature-dependent magnetic circular dichroism induced by spin-orbit couplingMichael Seth, Tom Ziegler, Jochen Autschbach
The Journal of Chemical Physics|April 20, 2005
Ab initio calculation of the C/D ratio of magnetic circular dichroismMichael Seth, Tom Ziegler, Jochen Autschbach
Journal of Chemical Theory and Computation|November 18, 2015
Applications of Time-Dependent and Time-Independent Density Functional Theory to Electronic Transitions in Tetrahedral d(0) Metal OxidesIssaka Seidu, Mykhaylo Krykunov, Tom Ziegler
The Journal of Physical Chemistry. A|October 17, 2014
Applications of time-dependent and time-independent density functional theory to Rydberg transitionsIssaka Seidu, Mykhaylo Krykunov, Tom Ziegler
Inorganic Chemistry|July 17, 2013
Role played by isopropyl substituents in stabilizing the putative triple bond in Ar'EEAr' [E = Si, Ge, Sn; Ar' = C6H3-2,6-(C6H3-2,6-Pr(i)2)2] and Ar*PbPbAr* [Ar* = C6H3-2,6-(C6H2-2,4,6-Pr(i)3)2]Issaka Seidu, Michael Seth, Tom Ziegler
Journal of Chemical Theory and Computation|November 26, 2015
The Application of Constricted Variational Density Functional Theory to Excitations Involving Electron Transitions from Occupied Lone-Pair Orbitals to Virtual π* OrbitalsTom Ziegler, Mykhaylo Krykunov, John Cullen
Journal of Chemical Theory and Computation|November 25, 2015
Introduction of a New Theory for the Calculation of Magnetic Coupling Based on Spin-Flip Constricted Variational Density Functional Theory. Application to Trinuclear Copper Complexes which Model the Native Intermediate in Multicopper OxidasesHristina Zhekova, Michel Seth, Tom Ziegler
The Journal of Physical Chemistry. A|February 13, 2008
Bond orbitals from chemical valence theoryArtur Michalak, Mariusz Mitoraj, Tom Ziegler
Journal of Chemical Theory and Computation|November 21, 2015
Derivation of the RPA (Random Phase Approximation) Equation of ATDDFT (Adiabatic Time Dependent Density Functional Ground State Response Theory) from an Excited State Variational Approach Based on the Ground State FunctionalTom Ziegler, Mykhaylo Krykunov, Jochen Autschbach
Journal of Chemical Theory and Computation|November 27, 2015
A Combined Charge and Energy Decomposition Scheme for Bond AnalysisMariusz P Mitoraj, Artur Michalak, Tom Ziegler
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