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Journal of Chemical Theory and Computation|November 18, 2015
Hybrid Quantum Mechanics/Molecular Mechanics/Coarse Grained Modeling: A Triple-Resolution Approach for Biomolecular SystemsPandian Sokkar, Eliot Boulanger, Walter Thiel, et al.Journal of Computational Chemistry|May 5, 2009
QM/MM calculation of solvent effects on absorption spectra of guanineMaja Parac, Markus Doerr, Christel M Marian, et al.Biochimica Et Biophysica Acta|August 2, 2015
Vibrational relaxation as the driving force for wavelength conversion in the peridinin-chlorophyll a-proteinJan P Götze, Bora Karasulu, Mahendra Patil, et al.Journal of the American Chemical Society|May 24, 2016
α-Cationic Arsines: Synthesis, Structure, Reactivity, and ApplicationsJonathan W Dube, Yiying Zheng, Walter Thiel, et al.Physical Chemistry Chemical Physics : PCCP|August 2, 2012
Photochemical dynamics of E-iPr-furylfulgideJan Boyke Schönborn, Axel Koslowski, Walter Thiel, et al.The Journal of Chemical Physics|January 3, 2016
A global potential energy surface and dipole moment surface for silaneAlec Owens, Sergei N Yurchenko, Andrey Yachmenev, et al.The Journal of Chemical Physics|August 25, 2011
High-level ab initio potential energy surfaces and vibrational energies of H2CSAndrey Yachmenev, Sergei N Yurchenko, Tristan Ribeyre, et al.Physical Chemistry Chemical Physics : PCCP|October 1, 2009
Theoretical evidence for the formation of rotational energy level clusters in the vibrational ground state of PH3Sergei N Yurchenko, Walter Thiel, Serguei Patchkovskii, et al.Journal of Chemical Information and Computer Sciences|March 26, 2002
Chemical library subset selection algorithms: a unified derivation using spatial statisticsFred A Hamprecht, Walter Thiel, Wilfred F van GunsterenPhysical Chemistry Chemical Physics : PCCP|June 14, 2013
Periodic decay in the photoisomerisation of p-aminoazobenzeneJosé A Gámez, Oliver Weingart, Axel Koslowski, et al.Pageof 59