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Ab initio investigation on the lowest singlet and triplet state of disilyne (Si2H2)

โœ Scribed by Lischka, Hans; Koehler, Hans Joachim

Book ID
127042994
Publisher
American Chemical Society
Year
1983
Tongue
English
Weight
461 KB
Volume
105
Category
Article
ISSN
0002-7863

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Ab initio calculations on the lowest sin
Ab initio calculations on the lowest singlet and triplet surfaces for CSiF2
โœ A.C. Hopkinson; M.H. Lien; I.C. Csizmadia ๐Ÿ“‚ Article ๐Ÿ“… 1984 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 442 KB

Ab initio motecufar orbital cakulations on isomers with the molecular formula CSiFz arc reported at the 3-21G//3-21G and 6-3 lG\*//3-21G ievefs of theory for both the sir&et and triplet energy surfaces wd the results are compared wit11 those for the CSifia surfzrces.