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Jürgen Gräfenstein

Showing results (1-10 of 25) with videos related to

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Molecules (Basel, Switzerland)|July 1, 2020
The Structure of the "Vibration Hole" around an Isotopic Substitution-Implications for the Calculation of Nuclear Magnetic Resonance (NMR) Isotopic ShiftsJürgen Gräfenstein
The Journal of Chemical Physics|January 3, 2020
Efficient calculation of NMR isotopic shifts: Difference-dedicated vibrational perturbation theoryJürgen Gräfenstein
Magnetic Resonance in Chemistry : MRC|September 15, 2004
Systematic strategy for decoding the NMR spin-spin coupling mechanism: the J-OC-PSP methodJürgen Gräfenstein, Dieter Cremer
The Journal of Chemical Physics|December 21, 2004
One-electron versus electron-electron interaction contributions to the spin-spin coupling mechanism in nuclear magnetic resonance spectroscopy: analysis of basic electronic effectsJürgen Gräfenstein, Dieter Cremer
The Journal of Chemical Physics|November 6, 2007
Efficient density-functional theory integrations by locally augmented radial gridsJürgen Gräfenstein, Dieter Cremer
Physical Chemistry Chemical Physics : PCCP|June 1, 2007
Calculation and analysis of NMR spin-spin coupling constantsDieter Cremer, Jürgen Gräfenstein
The Journal of Chemical Physics|April 2, 2009
An efficient algorithm for the density-functional theory treatment of dispersion interactionsJürgen Gräfenstein, Dieter Cremer
The Journal of Chemical Physics|November 13, 2007
Unusual long-range spin-spin coupling in fluorinated polyenes: a mechanistic analysisJürgen Gräfenstein, Dieter Cremer
The Journal of Chemical Physics|July 23, 2004
Decomposition of nuclear magnetic resonance spin-spin coupling constants into active and passive orbital contributionsJürgen Gräfenstein, Tell Tuttle, Dieter Cremer
The Journal of Physical Chemistry. A|July 15, 2006
Elucidation of the electronic structure of molecules with the help of NMR spin-spin coupling constants: the FH moleculeJürgen Gräfenstein, Tell Tuttle, Dieter Cremer
Pageof 3

Showing results (1-10 of 25) with videos related to

Sort By:
Pageof 3
Molecules (Basel, Switzerland)|July 1, 2020
The Structure of the "Vibration Hole" around an Isotopic Substitution-Implications for the Calculation of Nuclear Magnetic Resonance (NMR) Isotopic ShiftsJürgen Gräfenstein
The Journal of Chemical Physics|January 3, 2020
Efficient calculation of NMR isotopic shifts: Difference-dedicated vibrational perturbation theoryJürgen Gräfenstein
Magnetic Resonance in Chemistry : MRC|September 15, 2004
Systematic strategy for decoding the NMR spin-spin coupling mechanism: the J-OC-PSP methodJürgen Gräfenstein, Dieter Cremer
The Journal of Chemical Physics|December 21, 2004
One-electron versus electron-electron interaction contributions to the spin-spin coupling mechanism in nuclear magnetic resonance spectroscopy: analysis of basic electronic effectsJürgen Gräfenstein, Dieter Cremer
The Journal of Chemical Physics|November 6, 2007
Efficient density-functional theory integrations by locally augmented radial gridsJürgen Gräfenstein, Dieter Cremer
Physical Chemistry Chemical Physics : PCCP|June 1, 2007
Calculation and analysis of NMR spin-spin coupling constantsDieter Cremer, Jürgen Gräfenstein
The Journal of Chemical Physics|April 2, 2009
An efficient algorithm for the density-functional theory treatment of dispersion interactionsJürgen Gräfenstein, Dieter Cremer
The Journal of Chemical Physics|November 13, 2007
Unusual long-range spin-spin coupling in fluorinated polyenes: a mechanistic analysisJürgen Gräfenstein, Dieter Cremer
The Journal of Chemical Physics|July 23, 2004
Decomposition of nuclear magnetic resonance spin-spin coupling constants into active and passive orbital contributionsJürgen Gräfenstein, Tell Tuttle, Dieter Cremer
The Journal of Physical Chemistry. A|July 15, 2006
Elucidation of the electronic structure of molecules with the help of NMR spin-spin coupling constants: the FH moleculeJürgen Gräfenstein, Tell Tuttle, Dieter Cremer
Pageof 3