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On the dimerization of BH3 and the associated delocalization (resonance) energy

โœ Scribed by Clyde Edmiston; Peter Lindner


Book ID
104578294
Publisher
John Wiley and Sons
Year
1973
Tongue
English
Weight
434 KB
Volume
7
Category
Article
ISSN
0020-7608

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๐Ÿ“œ SIMILAR VOLUMES


Origin of the dimerization energy of BH3
โœ M. Gelus; R. Ahlrichs; V. Staemmler; W. Kutzelnigg ๐Ÿ“‚ Article ๐Ÿ“… 1970 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 235 KB

## Reccivccl G October 1970 The Hartrcc-Fock :md correlxtion cnerb~ contributions to the dinicrizntion energy of BIi:j h:ivc been calculated :IS 8.1 and 16.8 kcal/mole. respectively. The lnttcr is mninlv due to the incrensc in the number of p:Grs of nmrcst ncighhour bonds. WC estimate the dimerizn

Computation of the complexation energies
โœ Reinhart Ahlrichs; Wolfgang Koch ๐Ÿ“‚ Article ๐Ÿ“… 1978 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 346 KB

Extended basis set computations on SCF and CEPA level were performed for BHJNHs and BHsPHs to determine the complexation energy AE and the equilibrium distance r(BX) between the "heavy" atoms. Our CEPA results (SCF in parentheses): AJ!?(BH~NH) = -27(-21.3) kcal/mol, M(LiHsPH3) = -17(-11.8) kcal/mol,

Causality, delocalization, and positivit
โœ Karpov, E.; Ordonez, G.; Petrosky, T.; Prigogine, I.; Pronko, G. ๐Ÿ“‚ Article ๐Ÿ“… 2000 ๐Ÿ› The American Physical Society ๐ŸŒ English โš– 108 KB