Trans-1,2-Dicyano-cyclopropane and Other Cyano-cyclopropane Derivatives : a theoretical and experimental VA, VCD, Raman and ROA spectroscopic study.

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Trans-1,2-Dicyano-cyclopropane and Other Cyano-cyclopropane Derivatives : a theoretical and experimental VA, VCD, Raman and ROA spectroscopic study.

In this work we present the experimental vibrational absorption (VA), vibrational circular dichroism(VCD) and Raman spectra for (+)-trans-1(S),2(S)-dicyanocyclopropane and its dideuterio derivative, trans-1(S),2(S)-dicyano-1(S),2(S)-dideuteriocyclopropane, along with VA, VCD, Raman and Raman optical...

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Bibliographic Details
Main Authors:	Jalkanen, Karl, Gale, Julian, Jalkanen, G., McIntosh, D., El-Azhary, A., Jensen, G.
Format:	Journal Article
Published:	2007
Subjects:	PBE B3LYP VCD Vibrational spectroscopy PBE0 CADPAC BLYP BP91 DFT VA Raman and ROA SIESTA Conformational analysis
Online Access:	http://hdl.handle.net/20.500.11937/12815

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