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Journal of Chemical Information and Modeling|December 7, 2021
Coupled Anharmonic Thermochemistry from Stratified Monte Carlo IntegrationGabriel Rath, Wassja A Kopp, Kai LeonhardPhysical Chemistry Chemical Physics : PCCP|April 5, 2023
Improved modeling of anharmonicity for furan microsolvationWassja A Kopp, Matthias L Mödden, Narasimhan Viswanathan, et al.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 JacobiansWassja A Kopp, Kai LeonhardThe Journal of Chemical Physics|December 10, 2015
Efficient yet accurate approximations for ab initio calculations of alcohol cluster thermochemistryMuhammad Umer, Wassja A Kopp, Kai LeonhardThe Journal of Physical Chemistry. B|March 14, 2017
Prediction of Chain Propagation Rate Constants of Polymerization Reactions in Aqueous NIPAM/BIS and VCL/BIS SystemsLeif C Kröger, Wassja A Kopp, Kai LeonhardACS Omega|February 18, 2020
Correcting Rate Constants from Anharmonic Molecular Dynamics for Quantum EffectsFelix 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 SimulationsLeif 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|June 14, 2018
Automated Chemical Kinetic Modeling via Hybrid Reactive Molecular Dynamics and Quantum Chemistry SimulationsMalte Döntgen, Felix Schmalz, Wassja A Kopp, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|December 30, 2022
A Reactive Molecular Dynamics Study of Chlorinated Organic Compounds. Part I: Force Field DevelopmentLeonid Komissarov, Lukas Krep, Felix Schmalz, et al.Pageof 5