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Dominik Marx

Showing results (121-130 of 235) with videos related to

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Physical Chemistry Chemical Physics : PCCP|January 13, 2015
Solvation shell resolved THz spectra of simple aqua ions - distinct distance- and frequency-dependent contributions of solvation shellsMaciej Śmiechowski, Jian Sun, Harald Forbert, et al.
The Journal of Chemical Physics|March 17, 2018
High-dimensional neural network potentials for solvation: The case of protonated water clusters in heliumChristoph Schran, Felix Uhl, Jörg Behler, et al.
Journal of Chemical Theory and Computation|March 27, 2023
Structural Sampling and Solvation Models for the Simulation of Electronic Spectra: Pyrazine as a Case StudyShota Tsuru, Bikramjit Sharma, Dominik Marx, et al.
Journal of Chemical Theory and Computation|May 17, 2025
Computing Bulk Phase IR Spectra from Finite Cluster Data via Equivariant Neural NetworksAman Jindal, Philipp Schienbein, Banshi Das, et al.
The Journal of Chemical Physics|September 28, 2010
Glycine in aqueous solution: solvation shells, interfacial water, and vibrational spectroscopy from ab initio molecular dynamicsJian Sun, David Bousquet, Harald Forbert, et al.
Angewandte Chemie (International Ed. in English)|May 29, 2003
Towards "mechanochemistry": mechanically induced isomerizations of thiolate-gold clustersDaniel Krüger, Roger Rousseau, Harald Fuchs, et al.
Physical Review Letters|October 4, 2005
Electronic origin of disorder and diffusion at a molecule-metal interface: self-assembled monolayers of CH3S on Cu111Martin Konôpka, Roger Rousseau, Ivan Stich, et al.
The Journal of Chemical Physics|October 3, 2015
Quantum free energy landscapes from ab initio path integral metadynamics: Double proton transfer in the formic acid dimer is concerted but not correlatedSergei D Ivanov, Ian M Grant, Dominik Marx
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|December 13, 2017
Force-Induced Catastrophes on Energy Landscapes: Mechanochemical Manipulation of Downhill and Uphill Bifurcations Explains the Ring-Opening Selectivity of CyclopropanesMiriam Wollenhaupt, Christoph Schran, Martin Krupička, et al.
Physical Chemistry Chemical Physics : PCCP|October 29, 2020
Mechanochemical disulfide reduction reveals imprints of noncovalent sulfuroxygen chalcogen bonds in protein-inspired mimics in aqueous solutionPrzemyslaw Dopieralski, Martin E Zoloff Michoff, Dominik Marx
Pageof 24

Showing results (121-130 of 235) with videos related to

Sort By:
Pageof 24
Physical Chemistry Chemical Physics : PCCP|January 13, 2015
Solvation shell resolved THz spectra of simple aqua ions - distinct distance- and frequency-dependent contributions of solvation shellsMaciej Śmiechowski, Jian Sun, Harald Forbert, et al.
The Journal of Chemical Physics|March 17, 2018
High-dimensional neural network potentials for solvation: The case of protonated water clusters in heliumChristoph Schran, Felix Uhl, Jörg Behler, et al.
Journal of Chemical Theory and Computation|March 27, 2023
Structural Sampling and Solvation Models for the Simulation of Electronic Spectra: Pyrazine as a Case StudyShota Tsuru, Bikramjit Sharma, Dominik Marx, et al.
Journal of Chemical Theory and Computation|May 17, 2025
Computing Bulk Phase IR Spectra from Finite Cluster Data via Equivariant Neural NetworksAman Jindal, Philipp Schienbein, Banshi Das, et al.
The Journal of Chemical Physics|September 28, 2010
Glycine in aqueous solution: solvation shells, interfacial water, and vibrational spectroscopy from ab initio molecular dynamicsJian Sun, David Bousquet, Harald Forbert, et al.
Angewandte Chemie (International Ed. in English)|May 29, 2003
Towards "mechanochemistry": mechanically induced isomerizations of thiolate-gold clustersDaniel Krüger, Roger Rousseau, Harald Fuchs, et al.
Physical Review Letters|October 4, 2005
Electronic origin of disorder and diffusion at a molecule-metal interface: self-assembled monolayers of CH3S on Cu111Martin Konôpka, Roger Rousseau, Ivan Stich, et al.
The Journal of Chemical Physics|October 3, 2015
Quantum free energy landscapes from ab initio path integral metadynamics: Double proton transfer in the formic acid dimer is concerted but not correlatedSergei D Ivanov, Ian M Grant, Dominik Marx
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|December 13, 2017
Force-Induced Catastrophes on Energy Landscapes: Mechanochemical Manipulation of Downhill and Uphill Bifurcations Explains the Ring-Opening Selectivity of CyclopropanesMiriam Wollenhaupt, Christoph Schran, Martin Krupička, et al.
Physical Chemistry Chemical Physics : PCCP|October 29, 2020
Mechanochemical disulfide reduction reveals imprints of noncovalent sulfuroxygen chalcogen bonds in protein-inspired mimics in aqueous solutionPrzemyslaw Dopieralski, Martin E Zoloff Michoff, Dominik Marx
Pageof 24