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Structure and stability of spiro-cyclic water clusters

โœ Scribed by M. Elango; V. Subramanian; N. Sathyamurthy


Book ID
107584549
Publisher
Indian Academy of Sciences,Royal Society of Chemistry
Year
2009
Tongue
English
Weight
496 KB
Volume
121
Category
Article
ISSN
0253-4134

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The structures and energies of B q , observed experimentally to be 13 an unusually abundant species among cationic boron clusters, have been studied systematically with B3LYPr6แސ31G\* density functional theory. The most thermodynamically stable B q and B q clusters are confirmed to have planar or 12