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Inorganic Chemistry
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August 17, 2018
Revisiting the Dependence of Cu K-Edge X-ray Absorption Spectra on Oxidation State and Coordination Environment
Julian Rudolph, Christoph R Jacob
The Journal of Physical Chemistry. A
|
October 23, 2023
Coupled-Cluster Density-Based Many-Body Expansion
Kevin Focke, Christoph R Jacob
Physical Chemistry Chemical Physics : PCCP
|
July 25, 2023
Protein network centralities as descriptor for QM region construction in QM/MM simulations of enzymes
Felix Brandt, Christoph R Jacob
The Journal of Chemical Physics
|
April 25, 2008
A subsystem density-functional theory approach for the quantum chemical treatment of proteins
Christoph R Jacob, Lucas Visscher
The Journal of Chemical Physics
|
May 2, 2016
On the benefits of localized modes in anharmonic vibrational calculations for small molecules
Paweł T Panek, Christoph R Jacob
The Journal of Physical Chemistry. B
|
November 17, 2024
Protein-Ligand Interaction Energies from Quantum-Chemical Fragmentation Methods: Upgrading the MFCC-Scheme with Many-Body Contributions
Johannes R Vornweg, Christoph R Jacob
The Journal of Physical Chemistry Letters
|
July 30, 2016
Anharmonic Theoretical Vibrational Spectroscopy of Polypeptides
Paweł T Panek, Christoph R Jacob
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 1, 2014
Efficient calculation of anharmonic vibrational spectra of large molecules with localized modes
Paweł T Panek, Christoph R Jacob
Journal of Chemical Theory and Computation
|
July 1, 2021
Density-Based Many-Body Expansion as an Efficient and Accurate Quantum-Chemical Fragmentation Method: Application to Water Clusters
Daniel Schmitt-Monreal, Christoph R Jacob
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
March 26, 2011
Identifying protein β-turns with vibrational Raman optical activity
Thomas Weymuth, Christoph R Jacob, Markus Reiher
Page
of 9
Search research articles
Search
Showing results (11-20 of 81) with videos related to
Sort By:
Page
of 9
Inorganic Chemistry
|
August 17, 2018
Revisiting the Dependence of Cu K-Edge X-ray Absorption Spectra on Oxidation State and Coordination Environment
Julian Rudolph, Christoph R Jacob
The Journal of Physical Chemistry. A
|
October 23, 2023
Coupled-Cluster Density-Based Many-Body Expansion
Kevin Focke, Christoph R Jacob
Physical Chemistry Chemical Physics : PCCP
|
July 25, 2023
Protein network centralities as descriptor for QM region construction in QM/MM simulations of enzymes
Felix Brandt, Christoph R Jacob
The Journal of Chemical Physics
|
April 25, 2008
A subsystem density-functional theory approach for the quantum chemical treatment of proteins
Christoph R Jacob, Lucas Visscher
The Journal of Chemical Physics
|
May 2, 2016
On the benefits of localized modes in anharmonic vibrational calculations for small molecules
Paweł T Panek, Christoph R Jacob
The Journal of Physical Chemistry. B
|
November 17, 2024
Protein-Ligand Interaction Energies from Quantum-Chemical Fragmentation Methods: Upgrading the MFCC-Scheme with Many-Body Contributions
Johannes R Vornweg, Christoph R Jacob
The Journal of Physical Chemistry Letters
|
July 30, 2016
Anharmonic Theoretical Vibrational Spectroscopy of Polypeptides
Paweł T Panek, Christoph R Jacob
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 1, 2014
Efficient calculation of anharmonic vibrational spectra of large molecules with localized modes
Paweł T Panek, Christoph R Jacob
Journal of Chemical Theory and Computation
|
July 1, 2021
Density-Based Many-Body Expansion as an Efficient and Accurate Quantum-Chemical Fragmentation Method: Application to Water Clusters
Daniel Schmitt-Monreal, Christoph R Jacob
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
March 26, 2011
Identifying protein β-turns with vibrational Raman optical activity
Thomas Weymuth, Christoph R Jacob, Markus Reiher
Page
of 9