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The Journal of Chemical Physics
|
December 3, 2008
A revised electronic Hessian for approximate time-dependent density functional theory
Tom Ziegler, Michael Seth, Mykhaylo Krykunov, et al.
Journal of Chemical Theory and Computation
|
November 21, 2015
Applications of Time Dependent and Time Independent Density Functional Theory to the First π to π* Transition in Cyanine Dyes
Hristina Zhekova, Mykhaylo Krykunov, Jochen Autschbach, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 28, 2018
Calculation of linear and nonlinear optical properties of azobenzene derivatives with Kohn-Sham and coupled-cluster methods
Arun K Pal, Thomas J Duignan, Jochen Autschbach
Journal of Chemical Theory and Computation
|
December 14, 2016
A Nonorthogonal State-Interaction Approach for Matrix Product State Wave Functions
Stefan Knecht, Sebastian Keller, Jochen Autschbach, et al.
Inorganic Chemistry
|
July 31, 2014
Magnetic resonance properties of actinyl carbonate complexes and plutonyl(VI)-tris-nitrate
Frédéric Gendron, Ben Pritchard, Hélène Bolvin, et al.
Dalton Transactions (Cambridge, England : 2003)
|
October 30, 2015
Single-ion 4f element magnetism: an ab-initio look at Ln(COT)2(-)
Frédéric Gendron, Benjamin Pritchard, Hélène Bolvin, et al.
The Journal of Chemical Physics
|
March 18, 2024
Dynamic and relativistic effects on Pt-Pt indirect spin-spin coupling in aqueous solution studied by ab initio molecular dynamics and two- vs four-component density functional NMR calculations
Patrick R Batista, Lucas C Ducati, Jochen Autschbach
Inorganic Chemistry
|
September 18, 2023
Magnetic Properties of Tetravalent Pu in the Perovskites BaPuO<sub>3</sub> and SrPuO<sub>3</sub>
S Skanthakumar, Xiaojuan Yu, Jochen Autschbach, et al.
The Journal of Physical Chemistry Letters
|
September 6, 2018
Ab Initio Study of Covalency in the Ground versus Core-Excited States and X-ray Absorption Spectra of Actinide Complexes
Dumitru-Claudiu Sergentu, Thomas J Duignan, Jochen Autschbach
Physical Chemistry Chemical Physics : PCCP
|
February 26, 2009
Enhancement of IR and VCD intensities due to charge transfer
Valentin Paul Nicu, Jochen Autschbach, Evert Jan Baerends
Page
of 36
Search research articles
Search
Showing results (141-150 of 357) with videos related to
Sort By:
Page
of 36
The Journal of Chemical Physics
|
December 3, 2008
A revised electronic Hessian for approximate time-dependent density functional theory
Tom Ziegler, Michael Seth, Mykhaylo Krykunov, et al.
Journal of Chemical Theory and Computation
|
November 21, 2015
Applications of Time Dependent and Time Independent Density Functional Theory to the First π to π* Transition in Cyanine Dyes
Hristina Zhekova, Mykhaylo Krykunov, Jochen Autschbach, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 28, 2018
Calculation of linear and nonlinear optical properties of azobenzene derivatives with Kohn-Sham and coupled-cluster methods
Arun K Pal, Thomas J Duignan, Jochen Autschbach
Journal of Chemical Theory and Computation
|
December 14, 2016
A Nonorthogonal State-Interaction Approach for Matrix Product State Wave Functions
Stefan Knecht, Sebastian Keller, Jochen Autschbach, et al.
Inorganic Chemistry
|
July 31, 2014
Magnetic resonance properties of actinyl carbonate complexes and plutonyl(VI)-tris-nitrate
Frédéric Gendron, Ben Pritchard, Hélène Bolvin, et al.
Dalton Transactions (Cambridge, England : 2003)
|
October 30, 2015
Single-ion 4f element magnetism: an ab-initio look at Ln(COT)2(-)
Frédéric Gendron, Benjamin Pritchard, Hélène Bolvin, et al.
The Journal of Chemical Physics
|
March 18, 2024
Dynamic and relativistic effects on Pt-Pt indirect spin-spin coupling in aqueous solution studied by ab initio molecular dynamics and two- vs four-component density functional NMR calculations
Patrick R Batista, Lucas C Ducati, Jochen Autschbach
Inorganic Chemistry
|
September 18, 2023
Magnetic Properties of Tetravalent Pu in the Perovskites BaPuO<sub>3</sub> and SrPuO<sub>3</sub>
S Skanthakumar, Xiaojuan Yu, Jochen Autschbach, et al.
The Journal of Physical Chemistry Letters
|
September 6, 2018
Ab Initio Study of Covalency in the Ground versus Core-Excited States and X-ray Absorption Spectra of Actinide Complexes
Dumitru-Claudiu Sergentu, Thomas J Duignan, Jochen Autschbach
Physical Chemistry Chemical Physics : PCCP
|
February 26, 2009
Enhancement of IR and VCD intensities due to charge transfer
Valentin Paul Nicu, Jochen Autschbach, Evert Jan Baerends
Page
of 36