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The Journal of Chemical Physics
|
December 25, 2016
General formulation of rovibrational kinetic energy operators and matrix elements in internal bond-angle coordinates using factorized Jacobians
Wassja A Kopp, Kai Leonhard
The Journal of Chemical Physics
|
December 10, 2015
Efficient yet accurate approximations for ab initio calculations of alcohol cluster thermochemistry
Muhammad Umer, Wassja A Kopp, Kai Leonhard
Journal of Chemical Information and Modeling
|
December 7, 2021
Coupled Anharmonic Thermochemistry from Stratified Monte Carlo Integration
Gabriel Rath, Wassja A Kopp, Kai Leonhard
The Journal of Physical Chemistry. B
|
March 14, 2017
Prediction of Chain Propagation Rate Constants of Polymerization Reactions in Aqueous NIPAM/BIS and VCL/BIS Systems
Leif C Kröger, Wassja A Kopp, Kai Leonhard
ACS Omega
|
February 18, 2020
Correcting Rate Constants from Anharmonic Molecular Dynamics for Quantum Effects
Felix Schmalz, Wassja A Kopp, Leif C Kröger, et al.
Journal of Chemical Theory and Computation
|
July 29, 2017
Assessing Statistical Uncertainties of Rare Events in Reactive Molecular Dynamics Simulations
Leif C Kröger, Wassja A Kopp, Malte Döntgen, et al.
The Journal of Physical Chemistry. A
|
July 5, 2013
Hydrogen abstraction from n-butyl formate by H˙ and HO₂˙
Wassja A Kopp, Raymond T Langer, Malte Döntgen, et al.
Journal of Chemical Information and Modeling
|
January 15, 2025
AUTOGRAPH: Chemical Reaction Networks in 3D
Philipp Kuboth, Jan A Meissner, Wassja A Kopp, et al.
Journal of Chemical Information and Modeling
|
June 14, 2018
Automated Chemical Kinetic Modeling via Hybrid Reactive Molecular Dynamics and Quantum Chemistry Simulations
Malte Döntgen, Felix Schmalz, Wassja A Kopp, et al.
Angewandte Chemie (International Ed. in English)
|
December 15, 2025
Reaction Discovery in Porous Materials Using Periodic Nanoreactor Molecular Dynamics
Daniel Deißenbeck, Patrick Meier, Wassja A Kopp, et al.
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of 3
Search research articles
Search
Showing results (1-10 of 21) with videos related to
Sort By:
Page
of 3
The Journal of Chemical Physics
|
December 25, 2016
General formulation of rovibrational kinetic energy operators and matrix elements in internal bond-angle coordinates using factorized Jacobians
Wassja A Kopp, Kai Leonhard
The Journal of Chemical Physics
|
December 10, 2015
Efficient yet accurate approximations for ab initio calculations of alcohol cluster thermochemistry
Muhammad Umer, Wassja A Kopp, Kai Leonhard
Journal of Chemical Information and Modeling
|
December 7, 2021
Coupled Anharmonic Thermochemistry from Stratified Monte Carlo Integration
Gabriel Rath, Wassja A Kopp, Kai Leonhard
The Journal of Physical Chemistry. B
|
March 14, 2017
Prediction of Chain Propagation Rate Constants of Polymerization Reactions in Aqueous NIPAM/BIS and VCL/BIS Systems
Leif C Kröger, Wassja A Kopp, Kai Leonhard
ACS Omega
|
February 18, 2020
Correcting Rate Constants from Anharmonic Molecular Dynamics for Quantum Effects
Felix Schmalz, Wassja A Kopp, Leif C Kröger, et al.
Journal of Chemical Theory and Computation
|
July 29, 2017
Assessing Statistical Uncertainties of Rare Events in Reactive Molecular Dynamics Simulations
Leif C Kröger, Wassja A Kopp, Malte Döntgen, et al.
The Journal of Physical Chemistry. A
|
July 5, 2013
Hydrogen abstraction from n-butyl formate by H˙ and HO₂˙
Wassja A Kopp, Raymond T Langer, Malte Döntgen, et al.
Journal of Chemical Information and Modeling
|
January 15, 2025
AUTOGRAPH: Chemical Reaction Networks in 3D
Philipp Kuboth, Jan A Meissner, Wassja A Kopp, et al.
Journal of Chemical Information and Modeling
|
June 14, 2018
Automated Chemical Kinetic Modeling via Hybrid Reactive Molecular Dynamics and Quantum Chemistry Simulations
Malte Döntgen, Felix Schmalz, Wassja A Kopp, et al.
Angewandte Chemie (International Ed. in English)
|
December 15, 2025
Reaction Discovery in Porous Materials Using Periodic Nanoreactor Molecular Dynamics
Daniel Deißenbeck, Patrick Meier, Wassja A Kopp, et al.
Page
of 3