Assessing the accuracy of a QM/MM//MD combined protocol to...

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta) 2012 / 06 Vol. 131; Iss. 6

Assessing the accuracy of a QM/MM//MD combined protocol to compute spectromagnetic properties of polyfunctional nitroxides in solution

Houriez, Céline, Ferré, Nicolas, Siri, Didier, Tordo, Paul, Masella, Michel
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Volume:
131
Language:
english
Journal:
Theoretical Chemistry Accounts
DOI:
10.1007/s00214-012-1240-9
Date:
June, 2012
File:
PDF, 266 KB
english, 2012
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