Protonation-induced stereoisomerism in nicotine:...

Journal of Computer-Aided Molecular Design 2005 / 01 Vol. 19; Iss. 1

Protonation-induced stereoisomerism in nicotine: Conformational studies using classical (AMBER) andab initio(Car–Parrinello) molecular dynamics

Philip S. Hammond, Yudong Wu, Rebecca Harris, Todd J. Minehardt, Roberto Car, Jeffrey D. Schmitt
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Volume:
19
Language:
english
Pages:
15
DOI:
10.1007/s10822-005-0096-7
Date:
January, 2005
File:
PDF, 1.41 MB
english, 2005
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