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An ab Initio and Classical Molecular Dynamics Investigation of the Structural and Vibrational Properties of Talc and Pyrophyllite

✍ Scribed by Larentzos, J.P.; Greathouse, J.A.; Cygan, R.T.


Book ID
121293796
Publisher
American Chemical Society
Year
2007
Tongue
English
Weight
268 KB
Volume
111
Category
Article
ISSN
1932-7447

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## Abstract Depending on their environment, polyproline peptides form chiral helices that may be either left‐ (PPII) or right‐handed (PPI). Here, we have characterized both the structure and free energy landscapes of Ace‐(Pro)~__n__~‐Nme (__n__ an integer less than 13) peptides, in vacuo and in imp