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Structure and electron delocalization of the boron oxide cluster B3(BO)3 and its anion and dianion

โœ Scribed by Truong Ba Tai; Minh Tho Nguyen


Book ID
108108998
Publisher
Elsevier Science
Year
2009
Tongue
English
Weight
698 KB
Volume
483
Category
Article
ISSN
0009-2614

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โœ H.H. Michels; J.A. Montgomery Jr. ๐Ÿ“‚ Article ๐Ÿ“… 1987 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 457 KB

A systematic study of the electronic structure of the H;-anion has been carried out using both perturbation theory and contiguration interaction. Counterpoise corrections are used to estimate the basis set superposition error in the computed dissociation energy. We find that H, is not thermodynamica