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Physical Review Letters|April 29, 2014
Quantum simulation of collective proton tunneling in hexagonal ice crystalsChristof Drechsel-Grau, Dominik MarxPhysical Review Letters|April 17, 2002
Nonadiabatic Car-Parrinello molecular dynamicsNikos L Doltsinis, Dominik MarxChemistry (Weinheim an Der Bergstrasse, Germany)|February 25, 2005
Aspects of glycosidic bond formation in aqueous solution: chemical bonding and the role of waterJohn M Stubbs, Dominik MarxPhysical Chemistry Chemical Physics : PCCP|November 26, 2011
Solvation of Au+ versus Au0 in aqueous solution: electronic structure governs solvation shell patternsMatteo Farnesi Camellone, Dominik MarxAngewandte Chemie (International Ed. in English)|August 27, 2014
Exceptional isotopic-substitution effect: breakdown of collective proton tunneling in hexagonal ice due to partial deuterationChristof Drechsel-Grau, Dominik MarxThe Journal of Physical Chemistry Letters|August 15, 2015
Mechanical Manipulation of Chemical Reactions: Reactivity Switching of Bergman CyclizationsMartin Krupička, Wolfram Sander, Dominik MarxJournal of Chemical Theory and Computation|June 22, 2017
Bicanonical ab Initio Molecular Dynamics for Open SystemsJohannes Frenzel, Bernd Meyer, Dominik MarxOrigins of Life and Evolution of the Biosphere : the Journal of the International Society for the Study of the Origin of Life|March 31, 2006
Ab initio simulations of desorption and reactivity of glycine at a water-pyrite interface at "iron-sulfur world" prebiotic conditionsRodolphe Pollet, Christian Boehme, Dominik MarxJournal of Chemical Theory and Computation|September 16, 2018
Converged Colored Noise Path Integral Molecular Dynamics Study of the Zundel Cation Down to Ultralow Temperatures at Coupled Cluster AccuracyChristoph Schran, Fabien Brieuc, Dominik MarxPageof 23