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Correction. Molecular mechanics parameters for organosilicon compounds calculated from ab initio computations

โœ Scribed by Stelian Grigoras; Thomas H. Lane


Publisher
John Wiley and Sons
Year
1989
Tongue
English
Weight
27 KB
Volume
10
Category
Article
ISSN
0192-8651

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The conformational and electronic properties of the odor compounds, pyrazine and its derivatives, were investigated by molecular mechanics (MM3) and ab initio molecular orbital calculations in order to evaluate an odor activity. The calculated results have suggested that the essential factors to giv