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The top documents tagged [qmmm calculations]
Exploring Potential Energy Surfaces for Chemical Reactions Prof. H. Bernhard Schlegel Department of Chemistry Wayne State University Current Research Group
217 views
QM/MM Calculations and Applications to Biophysics Marcus Elstner Physical and Theoretical Chemistry, Technical University of Braunschweig
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QM/MM Modelling Paul Sherwood CLRC Daresbury Lab.
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230 views
Exploring the Possible Pathways of DNA Polymerase λ ’s Nucleotidyl Transfer Reaction
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