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Ab initio and DFT calculations were performed to obtain the ground state geometry of neat acrylonitrile (C 2 H 3 CN, Acr), self-associated dimer, trimer and their hydrogen bonded complexes with methanol (M) and ethanol (E) in gas phase. Polarized Raman study was made for neat Acr and its binary mixtures with M/E. The ν(CN) line profile of neat Acr was analyzed to two component bands...
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