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Jochen Autschbach

Showing results (121-130 of 357) with videos related to

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Journal of Chemical Theory and Computation|January 1, 2021
Electron-Nucleus Hyperfine Coupling Calculated from Restricted Active Space Wavefunctions and an Exact Two-Component HamiltonianRulin Feng, Thomas J Duignan, Jochen Autschbach
Inorganic Chemistry|December 23, 2003
On the origin of the optical activity in the d-d transition region of tris-bidentate Co(III) and Rh(III) complexesFrancisco E Jorge, Jochen Autschbach, Tom Ziegler
Magnetic Resonance in Chemistry : MRC|September 15, 2004
NMR properties of platinum--thallium bonded complexes: analysis of relativistic density functional theory resultsBoris Le Guennic, Kazuko Matsumoto, Jochen Autschbach
Inorganic Chemistry|November 2, 2016
NMR J-Coupling Constants of Tl-Pt Bonded Metal Complexes in Aqueous Solution: Ab Initio Molecular Dynamics and Localized Orbital AnalysisLucas C Ducati, Alex Marchenko, Jochen Autschbach
The Journal of Physical Chemistry. A|February 26, 2009
A density functional study of the 13C NMR chemical shifts in fluorinated single-walled carbon nanotubesEva Zurek, Chris J Pickard, Jochen Autschbach
Chemistry (Weinheim an Der Bergstrasse, Germany)|October 8, 2015
Analysis of Proton NMR in Hydrogen Bonds in Terms of Lone-Pair and Bond Orbital ContributionsKiplangat Sutter, Gustavo A Aucar, Jochen Autschbach
Journal of Chemical Theory and Computation|June 23, 2020
Ab Initio Study of Vibronic and Magnetic 5f-to-5f and Dipole-Allowed 5f-to-6d and Charge-Transfer Transitions in [UX<sub>6</sub>]<sup></sup> (X = Cl, Br; <i>n</i> = 1, 2)Gaurab Ganguly, Herbert D Ludowieg, Jochen Autschbach
Inorganic Chemistry|April 29, 2003
Density functional calculations on electronic circular dichroism spectra of chiral transition metal complexesJochen Autschbach, Francisco E Jorge, Tom Ziegler
Inorganic Chemistry|January 6, 2011
Solvent effects and dynamic averaging of 195Pt NMR shielding in cisplatin derivativesLionel A Truflandier, Kiplangat Sutter, Jochen Autschbach
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|March 8, 2011
NMR J-coupling constants in cisplatin derivatives studied by molecular dynamics and relativistic DFTKiplangat Sutter, Lionel A Truflandier, Jochen Autschbach
Pageof 36

Showing results (121-130 of 357) with videos related to

Sort By:
Pageof 36
Journal of Chemical Theory and Computation|January 1, 2021
Electron-Nucleus Hyperfine Coupling Calculated from Restricted Active Space Wavefunctions and an Exact Two-Component HamiltonianRulin Feng, Thomas J Duignan, Jochen Autschbach
Inorganic Chemistry|December 23, 2003
On the origin of the optical activity in the d-d transition region of tris-bidentate Co(III) and Rh(III) complexesFrancisco E Jorge, Jochen Autschbach, Tom Ziegler
Magnetic Resonance in Chemistry : MRC|September 15, 2004
NMR properties of platinum--thallium bonded complexes: analysis of relativistic density functional theory resultsBoris Le Guennic, Kazuko Matsumoto, Jochen Autschbach
Inorganic Chemistry|November 2, 2016
NMR J-Coupling Constants of Tl-Pt Bonded Metal Complexes in Aqueous Solution: Ab Initio Molecular Dynamics and Localized Orbital AnalysisLucas C Ducati, Alex Marchenko, Jochen Autschbach
The Journal of Physical Chemistry. A|February 26, 2009
A density functional study of the 13C NMR chemical shifts in fluorinated single-walled carbon nanotubesEva Zurek, Chris J Pickard, Jochen Autschbach
Chemistry (Weinheim an Der Bergstrasse, Germany)|October 8, 2015
Analysis of Proton NMR in Hydrogen Bonds in Terms of Lone-Pair and Bond Orbital ContributionsKiplangat Sutter, Gustavo A Aucar, Jochen Autschbach
Journal of Chemical Theory and Computation|June 23, 2020
Ab Initio Study of Vibronic and Magnetic 5f-to-5f and Dipole-Allowed 5f-to-6d and Charge-Transfer Transitions in [UX<sub>6</sub>]<sup></sup> (X = Cl, Br; <i>n</i> = 1, 2)Gaurab Ganguly, Herbert D Ludowieg, Jochen Autschbach
Inorganic Chemistry|April 29, 2003
Density functional calculations on electronic circular dichroism spectra of chiral transition metal complexesJochen Autschbach, Francisco E Jorge, Tom Ziegler
Inorganic Chemistry|January 6, 2011
Solvent effects and dynamic averaging of 195Pt NMR shielding in cisplatin derivativesLionel A Truflandier, Kiplangat Sutter, Jochen Autschbach
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|March 8, 2011
NMR J-coupling constants in cisplatin derivatives studied by molecular dynamics and relativistic DFTKiplangat Sutter, Lionel A Truflandier, Jochen Autschbach
Pageof 36