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Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|September 12, 2014
Ab initio H2O in realistic hydrophilic confinementChristoph Allolio, Felix Klameth, Michael Vogel, et al.Physical Chemistry Chemical Physics : PCCP|August 13, 2011
Approaches to the solvation of the molecular probe N-methyl-6-quinolone in its excited stateChristoph Allolio, Daniel SebastianiThe Journal of Physical Chemistry. B|February 26, 2015
Water wires in aqueous solutions from first-principles calculationsGül Bekçioğlu, Christoph Allolio, Daniel SebastianiThe Journal of Chemical Physics|November 2, 2015
A molecular dynamics simulations study on the relations between dynamical heterogeneity, structural relaxation, and self-diffusion in viscous liquidsPatrick Henritzi, André Bormuth, Felix Klameth, et al.The Journal of Chemical Physics|January 24, 2015
Effect of the hydroaffinity and topology of pore walls on the structure and dynamics of confined waterMichael F Harrach, Felix Klameth, Barbara Drossel, et al.Physical Chemistry Chemical Physics : PCCP|April 29, 2014
Competition between excited state proton and OH(-) transport via a short water wire: solvent effects open the gateGül Bekçioğlu, Christoph Allolio, Maria Ekimova, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|February 12, 2016
Dynamical Dimension to the Hofmeister Series: Insights from First-Principles SimulationsGül Bekçioğlu-Neff, Christoph Allolio, Yogesh S Desmukh, et al.The Journal of Physical Chemistry. B|August 6, 2013
H-bonding competition and clustering in aqueous LiIChristoph Allolio, Nora Salas-Illanes, Yogesh S Desmukh, et al.Physical Chemistry Chemical Physics : PCCP|January 15, 2015
Proton transfer in a short hydrogen bond caused by solvation shell fluctuations: an ab initio MD and NMR/UV study of an (OHO)(-) bonded systemSvetlana Pylaeva, Christoph Allolio, Benjamin Koeppe, et al.The Journal of Organic Chemistry|November 18, 2014
Palladium complexes with chelating bis-NHC ligands in the Mizoroki-Heck reaction—mechanism and electronic effects, a DFT studyChristoph Allolio, Thomas StrassnerPageof 24