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Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
November 5, 2011
Theoretical study of the Raman optical activity spectra of 3(10)-helical polypeptides
Christoph R Jacob
The Journal of Physical Chemistry Letters
|
January 22, 2016
How Open Is Commercial Scientific Software?
Christoph R Jacob
The Journal of Chemical Physics
|
January 10, 2012
Unambiguous optimization of effective potentials in finite basis sets
Christoph R Jacob
ACS Omega
|
June 8, 2019
Computational Insights into the Mechanism of the Selective Catalytic Reduction of NO <i></i> : Fe- versus Cu-Exchanged Zeolite Catalysts
Julian Rudolph, Christoph R Jacob
The Journal of Chemical Physics
|
October 10, 2019
Description of intermolecular charge transfer with subsystem density-functional theory
Anika Schulz, Christoph R Jacob
Journal of Chemical Theory and Computation
|
March 10, 2022
Systematic QM Region Construction in QM/MM Calculations Based on Uncertainty Quantification
Felix Brandt, Christoph R Jacob
The Journal of Chemical Physics
|
November 30, 2006
Calculation of nuclear magnetic resonance shieldings using frozen-density embedding
Christoph R Jacob, Lucas Visscher
Faraday Discussions
|
September 11, 2020
Spin-state dependence of exchange-correlation holes
Julia Brüggemann, Christoph R Jacob
The Journal of Chemical Physics
|
March 5, 2009
Localizing normal modes in large molecules
Christoph R Jacob, Markus Reiher
Physical Chemistry Chemical Physics : PCCP
|
May 16, 2023
Efficient automatic construction of atom-economical QM regions with point-charge variation analysis
Felix Brandt, Christoph R Jacob
Page
of 9
Search research articles
Search
Showing results (1-10 of 81) with videos related to
Sort By:
Page
of 9
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
November 5, 2011
Theoretical study of the Raman optical activity spectra of 3(10)-helical polypeptides
Christoph R Jacob
The Journal of Physical Chemistry Letters
|
January 22, 2016
How Open Is Commercial Scientific Software?
Christoph R Jacob
The Journal of Chemical Physics
|
January 10, 2012
Unambiguous optimization of effective potentials in finite basis sets
Christoph R Jacob
ACS Omega
|
June 8, 2019
Computational Insights into the Mechanism of the Selective Catalytic Reduction of NO <i></i> : Fe- versus Cu-Exchanged Zeolite Catalysts
Julian Rudolph, Christoph R Jacob
The Journal of Chemical Physics
|
October 10, 2019
Description of intermolecular charge transfer with subsystem density-functional theory
Anika Schulz, Christoph R Jacob
Journal of Chemical Theory and Computation
|
March 10, 2022
Systematic QM Region Construction in QM/MM Calculations Based on Uncertainty Quantification
Felix Brandt, Christoph R Jacob
The Journal of Chemical Physics
|
November 30, 2006
Calculation of nuclear magnetic resonance shieldings using frozen-density embedding
Christoph R Jacob, Lucas Visscher
Faraday Discussions
|
September 11, 2020
Spin-state dependence of exchange-correlation holes
Julia Brüggemann, Christoph R Jacob
The Journal of Chemical Physics
|
March 5, 2009
Localizing normal modes in large molecules
Christoph R Jacob, Markus Reiher
Physical Chemistry Chemical Physics : PCCP
|
May 16, 2023
Efficient automatic construction of atom-economical QM regions with point-charge variation analysis
Felix Brandt, Christoph R Jacob
Page
of 9