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Theoretical study of B2Hn, (with n=2 to 6): molecules and related positive ions

โœ Scribed by M. Sana; G. Leroy; Ch. Henriet

Book ID
113256847
Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
975 KB
Volume
187
Category
Article
ISSN
0166-1280

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Theoretical study of linear Cn (n=6โˆ’10)
Theoretical study of linear Cn (n=6โˆ’10) and HCnH (n=2โˆ’10) molecules
โœ Qiang Fan; Gary V. Pfeiffer ๐Ÿ“‚ Article ๐Ÿ“… 1989 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 545 KB

The geometric and electronic structures and the total and binding (chemisorption) energies of linear C. (n= 6-10) and H&H (n= 2-l 0) molecules have been predicted via RHF ab initio calculations. For C, clusters the bonding structures are predicted to be cumulene type, with n-even clusters hating tri