Molecular structure, vibrational, factor group, optical and second order polarizability analysis of the L-prolinium trichloroacetate: A computational approach
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DOI: 10.1016/j.ijleo.2017.01.112
Abstract: Abstract For the first time the molecular structure, vibrational, optical and nonlinear optical properties of the l -prolinium trichloroacetate (LPTCA) have been determined by B3LYP/6-31++G** level of theory and the obtained properties are well correlated… read more here.
Keywords: structure vibrational; molecular structure; prolinium trichloroacetate; factor group ... See more keywords