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An ab initio study of the geometries and relative stabilities of isocyanates and cyanates

โœ Scribed by Hans-Georg Mack; Heinz Oberhammer

Book ID
107734530
Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
330 KB
Volume
157
Category
Article
ISSN
0009-2614

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A b inztio SCF calculations of the equilibrium geometries have been carried out on nine possible isomers of MHzN2, where M = C or Si, and compared with the results of MNDO calculations. The results for the carbon compounds are in good agreement with available experimental data, but in the case of th