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Jochen Autschbach

Showing results (131-140 of 357) with videos related to

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Journal of the American Chemical Society|March 21, 2007
A density functional study of the 13C NMR chemical shifts in functionalized single-walled carbon nanotubesEva Zurek, Chris J Pickard, Jochen Autschbach
The Journal of Chemical Physics|March 18, 2014
Calculation of nuclear spin-spin coupling constants using frozen density embeddingAndreas W Götz, Jochen Autschbach, Lucas Visscher
The Journal of Chemical Physics|January 1, 2008
Calculation of the magnetic circular dichroism B term from the imaginary part of the Verdet constant using damped time-dependent density functional theoryMykhaylo Krykunov, Michael Seth, Tom Ziegler, et al.
The Journal of Chemical Physics|March 4, 2005
Calculation of Verdet constants with time-dependent density functional theory: implementation and results for small moleculesMykhaylo Krykunov, Arup Banerjee, Tom Ziegler, et al.
Inorganic Chemistry|November 15, 2008
Circular dichroism of trigonal dihedral chromium(III) complexes: a theoretical study based on open-shell time-dependent density functional theoryJing Fan, Michael Seth, Jochen Autschbach, et al.
Journal of Computational Chemistry|January 24, 2026
Ab Initio Molecular Dynamics Study of Quadrupolar Spin Relaxation in an Ionic LiquidLuciano N Vidal, Lucas C Ducati, Jochen Autschbach
Chemistry (Weinheim an Der Bergstrasse, Germany)|January 23, 2018
Crystal Field in Rare-Earth Complexes: From Electrostatics to BondingRiccardo Alessandri, Habiburrahman Zulfikri, Jochen Autschbach, et al.
Physical Chemistry Chemical Physics : PCCP|June 2, 2021
Solvent effect on the <sup>195</sup>Pt NMR properties in pyridonate-bridged Pt<sup>III</sup> dinuclear complex derivatives investigated by ab initio molecular dynamics and localized orbital analysisPatrick R Batista, Lucas C Ducati, Jochen Autschbach
Chemistry (Weinheim an Der Bergstrasse, Germany)|April 21, 2021
Probing Multiconfigurational States by Spectroscopy: The Cerium XAS L<sub>3</sub> -edge PuzzleDumitru-Claudiu Sergentu, Corwin H Booth, Jochen Autschbach
The Journal of Chemical Physics|June 24, 2008
Application of magnetically perturbed time-dependent density functional theory to magnetic circular dichroism. II. Calculation of A termsMichael Seth, Mykhaylo Krykunov, Tom Ziegler, et al.
Pageof 36

Showing results (131-140 of 357) with videos related to

Sort By:
Pageof 36
Journal of the American Chemical Society|March 21, 2007
A density functional study of the 13C NMR chemical shifts in functionalized single-walled carbon nanotubesEva Zurek, Chris J Pickard, Jochen Autschbach
The Journal of Chemical Physics|March 18, 2014
Calculation of nuclear spin-spin coupling constants using frozen density embeddingAndreas W Götz, Jochen Autschbach, Lucas Visscher
The Journal of Chemical Physics|January 1, 2008
Calculation of the magnetic circular dichroism B term from the imaginary part of the Verdet constant using damped time-dependent density functional theoryMykhaylo Krykunov, Michael Seth, Tom Ziegler, et al.
The Journal of Chemical Physics|March 4, 2005
Calculation of Verdet constants with time-dependent density functional theory: implementation and results for small moleculesMykhaylo Krykunov, Arup Banerjee, Tom Ziegler, et al.
Inorganic Chemistry|November 15, 2008
Circular dichroism of trigonal dihedral chromium(III) complexes: a theoretical study based on open-shell time-dependent density functional theoryJing Fan, Michael Seth, Jochen Autschbach, et al.
Journal of Computational Chemistry|January 24, 2026
Ab Initio Molecular Dynamics Study of Quadrupolar Spin Relaxation in an Ionic LiquidLuciano N Vidal, Lucas C Ducati, Jochen Autschbach
Chemistry (Weinheim an Der Bergstrasse, Germany)|January 23, 2018
Crystal Field in Rare-Earth Complexes: From Electrostatics to BondingRiccardo Alessandri, Habiburrahman Zulfikri, Jochen Autschbach, et al.
Physical Chemistry Chemical Physics : PCCP|June 2, 2021
Solvent effect on the <sup>195</sup>Pt NMR properties in pyridonate-bridged Pt<sup>III</sup> dinuclear complex derivatives investigated by ab initio molecular dynamics and localized orbital analysisPatrick R Batista, Lucas C Ducati, Jochen Autschbach
Chemistry (Weinheim an Der Bergstrasse, Germany)|April 21, 2021
Probing Multiconfigurational States by Spectroscopy: The Cerium XAS L<sub>3</sub> -edge PuzzleDumitru-Claudiu Sergentu, Corwin H Booth, Jochen Autschbach
The Journal of Chemical Physics|June 24, 2008
Application of magnetically perturbed time-dependent density functional theory to magnetic circular dichroism. II. Calculation of A termsMichael Seth, Mykhaylo Krykunov, Tom Ziegler, et al.
Pageof 36