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Solvation effects on alanine dipeptide: A MP2/cc-pVTZ//MP2/6-31G** study of (Φ, Ψ) energy maps and conformers in the gas phase, ether, and water.
Zhi-Xiang Wang
Yong Duan
Published in:
J. Comput. Chem. (2004)
Keyphrases
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statistical analysis
prior studies
data sets
positive effects
website
case study
empirical studies
experimental study
interaction effects