Article ID Journal Published Year Pages File Type
1410237 Journal of Molecular Structure 2009 14 Pages PDF
Abstract
In addition, the geometries and relative energies of the possible isomers and conformers of DMHAP were also evaluated on the same levels and compared with the X-ray data. The influence of environment polarity on this conformational equilibrium is discussed with respect to the SCRF solvent effect calculations using IEFPCM model.
Related Topics
Physical Sciences and Engineering Chemistry Organic Chemistry
Authors
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