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Solvation effects on alanine dipeptide: A MP2/cc-pVTZ//MP2/6-31G** study of (Phi, Psi) energy maps and conformers in the gas phase, ether, and water |
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| Authors: | Wang Zhi-Xiang Duan Yong |
| Institution: | Department of Chemistry and Biochemistry, University of Delaware, 222 S. Chapel St., Newark, Delaware 19716, USA. |
| Abstract: | |
| Keywords: | alanine dipeptide solvent effect polarizable continuum model energy surface correlated second-order Moller–Plesset perturbation theory |
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