𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Doubly Bonded C 60 Dimers and Congeners: Computational Studies of Structures, Bond Energies and Transformations

✍ Scribed by Ōsawa, Shūichi; Ōsawa, Eiji; Hirose, Yüji

Book ID
118239669
Publisher
Taylor and Francis Group
Year
1995
Tongue
English
Weight
684 KB
Volume
3
Category
Article
ISSN
1064-122X

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

The computation of CC and NN bond diss
The computation of CC and NN bond dissociation energies for singly, doubly, and triply bonded systems
✍ Stephen R. Langhoff; Charles W. Bauschlicher Jr.; Peter R. Taylor 📂 Article 📅 1991 🏛 Elsevier Science 🌐 English ⚖ 623 KB

The bond dissociation energies (0,) of C>H>, &Ho, CzHa, Nz, N2H2, and NzH4 are studied at various levels of correlation treatment. The convergence of 0. with respect to the one-particle basis is studied at the single-reference modified coupled-pairfunctional (MCPF) level. At all levels of correlatio