Geometry optimization method versus predictive ability in QSPR modeling for ionic liquids
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Title
Geometry optimization method versus predictive ability in QSPR modeling for ionic liquids
Authors
Keywords
QSPR, Geometry optimization, Ionic liquids, DFT, PM7
Journal
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
Volume 30, Issue 2, Pages 165-176
Publisher
Springer Nature
Online
2016-02-01
DOI
10.1007/s10822-016-9894-3
References
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