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Mykhaylo Krykunov

Showing results (1-10 of 31) with videos related to

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The Journal of Chemical Physics|July 26, 2006
Calculation of origin-independent optical rotation tensor components in approximate time-dependent density functional theoryMykhaylo Krykunov, Jochen Autschbach
The Journal of Chemical Physics|January 6, 2006
Calculation of optical rotation with time-periodic magnetic-field-dependent basis functions in approximate time-dependent density-functional theoryMykhaylo Krykunov, Jochen Autschbach
The Journal of Chemical Physics|August 24, 2010
On the calculation of charge transfer transitions with standard density functionals using constrained variational density functional theoryTom Ziegler, Mykhaylo Krykunov
The Journal of Chemical Physics|January 19, 2007
Calculation of static and dynamic linear magnetic response in approximate time-dependent density functional theoryMykhaylo Krykunov, Jochen Autschbach
The Journal of Physical Chemistry. A|September 23, 2015
Excited State Studies of Polyacenes Using the All-Order Constricted Variational Density Functional Theory with Orbital RelaxationFlorian Senn, Mykhaylo Krykunov
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
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 ApproximationMykhaylo Krykunov, Stefan Grimme, Tom Ziegler
Journal of Chemical Theory and Computation|August 28, 2018
Bond Type Restricted Property Weighted Radial Distribution Functions for Accurate Machine Learning Prediction of Atomization EnergiesMykhaylo Krykunov, Tom K Woo
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
Pageof 4

Showing results (1-10 of 31) with videos related to

Sort By:
Pageof 4
The Journal of Chemical Physics|July 26, 2006
Calculation of origin-independent optical rotation tensor components in approximate time-dependent density functional theoryMykhaylo Krykunov, Jochen Autschbach
The Journal of Chemical Physics|January 6, 2006
Calculation of optical rotation with time-periodic magnetic-field-dependent basis functions in approximate time-dependent density-functional theoryMykhaylo Krykunov, Jochen Autschbach
The Journal of Chemical Physics|August 24, 2010
On the calculation of charge transfer transitions with standard density functionals using constrained variational density functional theoryTom Ziegler, Mykhaylo Krykunov
The Journal of Chemical Physics|January 19, 2007
Calculation of static and dynamic linear magnetic response in approximate time-dependent density functional theoryMykhaylo Krykunov, Jochen Autschbach
The Journal of Physical Chemistry. A|September 23, 2015
Excited State Studies of Polyacenes Using the All-Order Constricted Variational Density Functional Theory with Orbital RelaxationFlorian Senn, Mykhaylo Krykunov
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
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 ApproximationMykhaylo Krykunov, Stefan Grimme, Tom Ziegler
Journal of Chemical Theory and Computation|August 28, 2018
Bond Type Restricted Property Weighted Radial Distribution Functions for Accurate Machine Learning Prediction of Atomization EnergiesMykhaylo Krykunov, Tom K Woo
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
Pageof 4