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Jochen Autschbach

Showing results (111-120 of 357) with videos related to

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Journal of the American Chemical Society|January 20, 2005
On the origin of optical activity in tris-diamine complexes of Co(III) and Rh(III): a simple model based on time-dependent density function theoryFrancisco Elias Jorge, Jochen Autschbach, Tom Ziegler
Journal of Chemical Theory and Computation|December 8, 2015
Density Functional Study of H-D Coupling Constants in Heavy Metal Dihydrogen and Dihydride Complexes:  The Role of Geometry, Spin-Orbit Coupling, and Gradient Corrections in the Exchange-Correlation KernelBoris Le Guennic, Serguei Patchkovskii, Jochen Autschbach
The Journal of Physical Chemistry Letters|January 30, 2018
Calculation of Dipole-Forbidden 5f Absorption Spectra of Uranium(V) Hexa-Halide ComplexesYonaton N Heit, Frédéric Gendron, Jochen Autschbach
Chirality|March 14, 2020
Theoretical study of the Raman optical activity spectra of <math></math> with M = Co, RhLaura Abella, Herbert D Ludowieg, Jochen Autschbach
The Journal of Physical Chemistry. A|May 5, 2022
Comparative Study of Vibrational Raman Optical Activity with Different Time-Dependent Density Functional Approximations: The VROA36 DatabasePierpaolo Morgante, Herbert D Ludowieg, Jochen Autschbach
Journal of the American Chemical Society|January 23, 2003
Theoretical investigation of the apparently irregular behavior of pt-pt nuclear spin-spin coupling constantsJochen Autschbach, Ciprian D Igna, Tom Ziegler
The Journal of Chemical Physics|November 30, 2006
Calculation of circular dichroism spectra from optical rotatory dispersion, and vice versa, as complementary tools for theoretical studies of optical activity using time-dependent density functional theoryMykhaylo Krykunov, Matthew D Kundrat, Jochen Autschbach
The Journal of Physical Chemistry. A|May 25, 2007
NMR measurements and density functional calculations of the 199Hg-13C spin-spin coupling tensor in methylmercury halidesJochen Autschbach, Anu M Kantola, Jukka Jokisaari
Chemistry (Weinheim an Der Bergstrasse, Germany)|January 14, 2020
Ab Initio Analysis of Metal-Ligand Bonding in An(COT)<sub>2</sub> with An=Th, U in Their Ground- and Core-Excited StatesGaurab Ganguly, Dumitru-Claudiu Sergentu, Jochen Autschbach
Chemical Science|August 21, 2018
Similar ligand-metal bonding for transition metals and actinides? 5f<sup>1</sup> U(C<sub>7</sub>H<sub>7</sub>)<sub>2</sub><sup>-</sup><i>versus</i> 3d <sup></sup> metallocenesDumitru-Claudiu Sergentu, Frédéric Gendron, Jochen Autschbach
Pageof 36

Showing results (111-120 of 357) with videos related to

Sort By:
Pageof 36
Journal of the American Chemical Society|January 20, 2005
On the origin of optical activity in tris-diamine complexes of Co(III) and Rh(III): a simple model based on time-dependent density function theoryFrancisco Elias Jorge, Jochen Autschbach, Tom Ziegler
Journal of Chemical Theory and Computation|December 8, 2015
Density Functional Study of H-D Coupling Constants in Heavy Metal Dihydrogen and Dihydride Complexes:  The Role of Geometry, Spin-Orbit Coupling, and Gradient Corrections in the Exchange-Correlation KernelBoris Le Guennic, Serguei Patchkovskii, Jochen Autschbach
The Journal of Physical Chemistry Letters|January 30, 2018
Calculation of Dipole-Forbidden 5f Absorption Spectra of Uranium(V) Hexa-Halide ComplexesYonaton N Heit, Frédéric Gendron, Jochen Autschbach
Chirality|March 14, 2020
Theoretical study of the Raman optical activity spectra of <math></math> with M = Co, RhLaura Abella, Herbert D Ludowieg, Jochen Autschbach
The Journal of Physical Chemistry. A|May 5, 2022
Comparative Study of Vibrational Raman Optical Activity with Different Time-Dependent Density Functional Approximations: The VROA36 DatabasePierpaolo Morgante, Herbert D Ludowieg, Jochen Autschbach
Journal of the American Chemical Society|January 23, 2003
Theoretical investigation of the apparently irregular behavior of pt-pt nuclear spin-spin coupling constantsJochen Autschbach, Ciprian D Igna, Tom Ziegler
The Journal of Chemical Physics|November 30, 2006
Calculation of circular dichroism spectra from optical rotatory dispersion, and vice versa, as complementary tools for theoretical studies of optical activity using time-dependent density functional theoryMykhaylo Krykunov, Matthew D Kundrat, Jochen Autschbach
The Journal of Physical Chemistry. A|May 25, 2007
NMR measurements and density functional calculations of the 199Hg-13C spin-spin coupling tensor in methylmercury halidesJochen Autschbach, Anu M Kantola, Jukka Jokisaari
Chemistry (Weinheim an Der Bergstrasse, Germany)|January 14, 2020
Ab Initio Analysis of Metal-Ligand Bonding in An(COT)<sub>2</sub> with An=Th, U in Their Ground- and Core-Excited StatesGaurab Ganguly, Dumitru-Claudiu Sergentu, Jochen Autschbach
Chemical Science|August 21, 2018
Similar ligand-metal bonding for transition metals and actinides? 5f<sup>1</sup> U(C<sub>7</sub>H<sub>7</sub>)<sub>2</sub><sup>-</sup><i>versus</i> 3d <sup></sup> metallocenesDumitru-Claudiu Sergentu, Frédéric Gendron, Jochen Autschbach
Pageof 36