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Journal of the American Chemical Society|January 22, 2004
Computational elucidation of the transition state shape selectivity phenomenonLouis A Clark, Marek Sierka, Joachim Sauer
The Journal of Chemical Physics|December 9, 2009
Resolution of identity approximation for the Coulomb term in molecular and periodic systemsAsbjörn M Burow, Marek Sierka, Fawzi Mohamed
Journal of Chemical Theory and Computation|November 18, 2015
Density Functional Theory for Molecular and Periodic Systems Using Density Fitting and Continuous Fast Multipole MethodsRoman Łazarski, Asbjörn M Burow, Marek Sierka
Journal of the American Chemical Society|February 20, 2003
Stable mechanistically-relevant aromatic-based carbenium ions in zeolite catalystsLouis A Clark, Marek Sierka, Joachim Sauer
Physical Chemistry Chemical Physics : PCCP|September 14, 2017
Structure and crystallization of SiO2 and B2O3 doped lithium disilicate glasses from theory and experimentAndreas Erlebach, Katrin Thieme, Marek Sierka, et al.
The Journal of Physical Chemistry. A|April 10, 2023
Performance of Common Density Functionals for Excited States of TetraphenyldibenzoperiflantheneTim Schrader, Eva Perlt, Torsten Fritz, et al.
Physical Chemistry Chemical Physics : PCCP|March 27, 2014
Structure and properties of bimetallic titanium and vanadium oxide clustersBenjamin Helmich, Marek Sierka, Jens Döbler, et al.
The Journal of Chemical Physics|May 12, 2009
Point defects in CaF2 and CeO2 investigated by the periodic electrostatic embedded cluster methodAsbjörn M Burow, Marek Sierka, Jens Döbler, et al.
Journal of Computational Chemistry|August 25, 2016
Density functional theory for molecular and periodic systems using density fitting and continuous fast multipole method: Analytical gradientsRoman Łazarski, Asbjörn Manfred Burow, Lukáš Grajciar, et al.
Journal of Computational Chemistry|July 28, 2017
Ab Initio energetics of SiO bond cleavageCarolin Hühn, Andreas Erlebach, Dorothea Mey, et al.
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