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Ab initio and empirical model MD simulation studies of solvent effects on the properties of N-methylacetamide along a cis-trans isomerization pathway |
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| Authors: | Mantz Yves A Gerard Helene Iftimie Radu Martyna Glenn J |
| Institution: | IBM T.J. Watson Research Laboratory-Yorktown, Route 134 & PO Box 218, Yorktown Heights, New York 10598-0218, USA. ymantz@phys.chem.ethz.ch |
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