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Journal of Chemical Theory and Computation
|
May 10, 2016
Systematic Error Estimation for Chemical Reaction Energies
Gregor N Simm, Markus Reiher
Faraday Discussions
|
September 19, 2019
The electrostatic potential as a descriptor for the protonation propensity in automated exploration of reaction mechanisms
Stephanie A Grimmel, Markus Reiher
The Journal of Chemical Physics
|
November 17, 2018
Quantum system partitioning at the single-particle level
Adrian H Mühlbach, Markus Reiher
Journal of Chemical Information and Modeling
|
July 23, 2016
Molecular Propensity as a Driver for Explorative Reactivity Studies
Alain C Vaucher, Markus Reiher
Journal of Chemical Theory and Computation
|
April 13, 2018
Minimum Energy Paths and Transition States by Curve Optimization
Alain C Vaucher, Markus Reiher
Journal of Computational Chemistry
|
January 9, 2009
Haptic quantum chemistry
Konrad H Marti, Markus Reiher
The Journal of Physical Chemistry. A
|
March 19, 2020
Semiclassical Dispersion Corrections Efficiently Improve Multiconfigurational Theory with Short-Range Density-Functional Dynamic Correlation
Christopher J Stein, Markus Reiher
Journal of Computational Chemistry
|
June 8, 2019
autoCAS: A Program for Fully Automated Multiconfigurational Calculations
Christopher J Stein, Markus Reiher
Journal of Chemical Information and Modeling
|
July 2, 2020
Molassembler: Molecular Graph Construction, Modification, and Conformer Generation for Inorganic and Organic Molecules
Jan-Grimo Sobez, Markus Reiher
Journal of Chemical Theory and Computation
|
August 19, 2016
Polarizable Embedding Density Matrix Renormalization Group
Erik D Hedegård, Markus Reiher
Page
of 27
Search research articles
Search
Showing results (51-60 of 270) with videos related to
Sort By:
Page
of 27
Journal of Chemical Theory and Computation
|
May 10, 2016
Systematic Error Estimation for Chemical Reaction Energies
Gregor N Simm, Markus Reiher
Faraday Discussions
|
September 19, 2019
The electrostatic potential as a descriptor for the protonation propensity in automated exploration of reaction mechanisms
Stephanie A Grimmel, Markus Reiher
The Journal of Chemical Physics
|
November 17, 2018
Quantum system partitioning at the single-particle level
Adrian H Mühlbach, Markus Reiher
Journal of Chemical Information and Modeling
|
July 23, 2016
Molecular Propensity as a Driver for Explorative Reactivity Studies
Alain C Vaucher, Markus Reiher
Journal of Chemical Theory and Computation
|
April 13, 2018
Minimum Energy Paths and Transition States by Curve Optimization
Alain C Vaucher, Markus Reiher
Journal of Computational Chemistry
|
January 9, 2009
Haptic quantum chemistry
Konrad H Marti, Markus Reiher
The Journal of Physical Chemistry. A
|
March 19, 2020
Semiclassical Dispersion Corrections Efficiently Improve Multiconfigurational Theory with Short-Range Density-Functional Dynamic Correlation
Christopher J Stein, Markus Reiher
Journal of Computational Chemistry
|
June 8, 2019
autoCAS: A Program for Fully Automated Multiconfigurational Calculations
Christopher J Stein, Markus Reiher
Journal of Chemical Information and Modeling
|
July 2, 2020
Molassembler: Molecular Graph Construction, Modification, and Conformer Generation for Inorganic and Organic Molecules
Jan-Grimo Sobez, Markus Reiher
Journal of Chemical Theory and Computation
|
August 19, 2016
Polarizable Embedding Density Matrix Renormalization Group
Erik D Hedegård, Markus Reiher
Page
of 27