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Vibrational spectrum and structure of Na+ (BH3·PH2·BH3)−

✍ Scribed by R.E. Hester; E. Mayer

Book ID
113371666
Publisher
Elsevier Science
Year
1967
Tongue
English
Weight
224 KB
Volume
23
Category
Article
ISSN
1386-1425

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📜 SIMILAR VOLUMES

Computation of the complexation energies
Computation of the complexation energies of BH3NH3 and BH3PH3
✍ Reinhart Ahlrichs; Wolfgang Koch 📂 Article 📅 1978 🏛 Elsevier Science 🌐 English ⚖ 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,