Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)
2016 / 1 Vol. 135; Iss. 1
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Accessing the free energy profile of a ring closure in a proline-catalyzed reaction using a reactive force field
Hubin, Pierre O., Jacquemin, Denis, Leherte, Laurence, Vercauteren, Daniel P.Volume:
135
Language:
english
Journal:
Theoretical Chemistry Accounts
DOI:
10.1007/s00214-015-1792-6
Date:
January, 2016
File:
PDF, 2.01 MB
english, 2016