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Correction to “New Theoretical Method for Rapid Prediction of Solvation Free Energy in Water”

✍ Scribed by Zhao,, Shuangliang; Jin,, Zhehui; Wu, Jianzhong

Book ID: 120167929
Publisher: American Chemical Society
Year: 2011
Tongue: English
Weight: 596 KB
Volume: 115
Category: Article
ISSN: 0022-3654
DOI: 10.1021/jp210623y

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## Abstract We computed the free energy of solvation for a series of ions and neutral molecules using two different continuum approaches. First, we used the AM1–SM1 technique, where the AM1 Fock matrix is modified to include a generalized Born contribution. Second, we applied the DelPhi approach, w