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Ab Initio and Classical Molecular Dynamics Studies of the Dilithium Phthalocyanine/Pyrite Interfacial Structure

✍ Scribed by Zhang, Yingchun; Wang, Yixuan; Scanlon, Lawrence G.; Balbuena, Perla B.

Book ID
121865032
Publisher
The Electrochemical Society
Year
2005
Tongue
English
Weight
700 KB
Volume
152
Category
Article
ISSN
0013-4651

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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