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High electric field effects on the acrylonitrile molecule: An ab initio study

✍ Scribed by Michèle Raynaud; Cécile Reynaud; Yves Ellinger; Geneviève Hennico; Joseph Delhalle


Book ID
103667467
Publisher
Elsevier Science
Year
1990
Tongue
English
Weight
903 KB
Volume
142
Category
Article
ISSN
0301-0104

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