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The Journal of Chemical Physics|April 20, 2005
Geometry optimization of periodic systems using internal coordinatesTomás Bucko, Jürgen Hafner, János G Angyán
The Journal of Physical Chemistry. A|August 2, 2011
Ab initio study of structure and interconversion of native cellulose phasesTomás Bucko, Daniel Tunega, János G Angyán, et al.
The Journal of Chemical Physics|December 9, 2009
Mechanism of alkane dehydrogenation catalyzed by acidic zeolites: Ab initio transition path samplingTomás Bucko, Lubomir Benco, Orest Dubay, et al.
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