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Vibrational spectroscopic and conformational analysis of pinosylvin

Authors :
Billes, Ferenc
Mohammed-Ziegler, Ildiko
Mikosch, Hans
Holmgren, Allan
Source :
Journal of Physical Chemistry A. July 4, 2002, Vol. 106 Issue 26, p6232, 10 p.
Publication Year :
2002

Abstract

Infrared and Raman spectra of pinosylvin are recorded and the vibrational frequencies with the corresponding infrared intensities are compared with the results of ab initio calculations utilizing the DFT method with the Becke3P86 functional and the 6-31G(D) basis set.

Subjects

Subjects :
Raman spectroscopy -- Usage
Methyl groups -- Research
Fungal diseases of plants -- Research
Density functionals -- Usage
Chemicals, plastics and rubber industries

Details

Language :
English
ISSN :
10895639
Volume :
106
Issue :
26
Database :
Gale General OneFile
Journal :
Journal of Physical Chemistry A
Publication Type :
Academic Journal
Accession number :
edsgcl.123065429

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