Conformational and NMR analysis on cis 1,3-indanediol
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Date
2011
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Publisher
Elsevier
Abstract
Description
Keywords
cis 1,3-Indanediol, DFT, GIAO, NMR, Ring-puckering, Ab initio, Atomic orbital, Basis sets, Calculation methods, Conformational stabilities, DMSO molecules, Experimental data, Five-membered rings, H-bonds, Internal rotations, OH group, Relative stabilities, Theoretical calculations