Article ID Journal Published Year Pages File Type
1235809 Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2012 4 Pages PDF
Abstract
► The structure of two chloro-2-propanols is optimized at the DFT-B3LYP, MP2 and MP4(SDQ) levels of theory⋅ ► The vibrational wavenumbers of the alcohol were calculated at the DFT-B3LYP level of theory. ► Vibrational assignments were provided by combining experimental and theoretical data.
Related Topics
Physical Sciences and Engineering Chemistry Analytical Chemistry
Authors
,