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  Assessing the accuracy of a QM/MM//MD combined protocol to compute spectromagnetic properties of polyfunctional nitroxides in solution
 
 
Title: Assessing the accuracy of a QM/MM//MD combined protocol to compute spectromagnetic properties of polyfunctional nitroxides in solution
Author: Houriez, Céline
Ferré, Nicolas
Siri, Didier
Tordo, Paul
Masella, Michel
Appeared in: Theoretical chemistry accounts
Paging: Volume 131 (2012) nr. 6 pages 1-5
Year: 2012
Contents:
Publisher: Springer-Verlag, Berlin/Heidelberg
Source file: Elektronische Wetenschappelijke Tijdschriften
 
 

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