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Christoph R Jacob

Showing results (21-30 of 81) with videos related to

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Journal of Chemical Theory and Computation|November 26, 2015
Can DFT Accurately Predict Spin Densities? Analysis of Discrepancies in Iron Nitrosyl ComplexesKatharina Boguslawski, Christoph R Jacob, Markus Reiher
The Journal of Physical Chemistry. B|July 30, 2010
A local-mode model for understanding the dependence of the extended amide III vibrations on protein secondary structureThomas Weymuth, Christoph R Jacob, Markus Reiher
Journal of Computational Chemistry|November 8, 2007
A flexible implementation of frozen-density embedding for use in multilevel simulationsChristoph R Jacob, Johannes Neugebauer, Lucas Visscher
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|September 25, 2008
Calculated Raman optical activity signatures of tryptophan side chainsChristoph R Jacob, Sandra Luber, Markus Reiher
The Journal of Chemical Physics|December 31, 2022
Quantum-chemical calculation of two-dimensional infrared spectra using localized-mode VSCF/VCIJulia Brüggemann, Mario Wolter, Christoph R Jacob
The Journal of Physical Chemistry. B|April 14, 2009
Analysis of secondary structure effects on the IR and Raman spectra of polypeptides in terms of localized vibrationsChristoph R Jacob, Sandra Luber, Markus Reiher
Journal of Chemical Theory and Computation|November 20, 2015
Quantum-Chemical Electron Densities of Proteins and of Selected Protein Sites from Subsystem Density Functional TheoryKarin Kiewisch, Christoph R Jacob, Lucas Visscher
The Journal of Chemical Physics|February 8, 2013
Optimized unrestricted Kohn-Sham potentials from ab initio spin densitiesKatharina Boguslawski, Christoph R Jacob, Markus Reiher
Chemistry (Weinheim an Der Bergstrasse, Germany)|November 13, 2009
Understanding the signatures of secondary-structure elements in proteins with Raman optical activity spectroscopyChristoph R Jacob, Sandra Luber, Markus Reiher
Chemistry (Weinheim an Der Bergstrasse, Germany)|May 5, 2012
Probing the electronic structure of substituted ferrocenes with high-resolution XANES spectroscopyAndrew J Atkins, Christoph R Jacob, Matthias Bauer
Pageof 9

Showing results (21-30 of 81) with videos related to

Sort By:
Pageof 9
Journal of Chemical Theory and Computation|November 26, 2015
Can DFT Accurately Predict Spin Densities? Analysis of Discrepancies in Iron Nitrosyl ComplexesKatharina Boguslawski, Christoph R Jacob, Markus Reiher
The Journal of Physical Chemistry. B|July 30, 2010
A local-mode model for understanding the dependence of the extended amide III vibrations on protein secondary structureThomas Weymuth, Christoph R Jacob, Markus Reiher
Journal of Computational Chemistry|November 8, 2007
A flexible implementation of frozen-density embedding for use in multilevel simulationsChristoph R Jacob, Johannes Neugebauer, Lucas Visscher
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|September 25, 2008
Calculated Raman optical activity signatures of tryptophan side chainsChristoph R Jacob, Sandra Luber, Markus Reiher
The Journal of Chemical Physics|December 31, 2022
Quantum-chemical calculation of two-dimensional infrared spectra using localized-mode VSCF/VCIJulia Brüggemann, Mario Wolter, Christoph R Jacob
The Journal of Physical Chemistry. B|April 14, 2009
Analysis of secondary structure effects on the IR and Raman spectra of polypeptides in terms of localized vibrationsChristoph R Jacob, Sandra Luber, Markus Reiher
Journal of Chemical Theory and Computation|November 20, 2015
Quantum-Chemical Electron Densities of Proteins and of Selected Protein Sites from Subsystem Density Functional TheoryKarin Kiewisch, Christoph R Jacob, Lucas Visscher
The Journal of Chemical Physics|February 8, 2013
Optimized unrestricted Kohn-Sham potentials from ab initio spin densitiesKatharina Boguslawski, Christoph R Jacob, Markus Reiher
Chemistry (Weinheim an Der Bergstrasse, Germany)|November 13, 2009
Understanding the signatures of secondary-structure elements in proteins with Raman optical activity spectroscopyChristoph R Jacob, Sandra Luber, Markus Reiher
Chemistry (Weinheim an Der Bergstrasse, Germany)|May 5, 2012
Probing the electronic structure of substituted ferrocenes with high-resolution XANES spectroscopyAndrew J Atkins, Christoph R Jacob, Matthias Bauer
Pageof 9