𝔖 Bobbio Scriptorium
✦   LIBER   ✦

An AB initio molecular orbital study of the structure, energetics and bond activation of Al+ complexes

✍ Scribed by M. Alcamí; O. Mó; M. Yáñez

Book ID
113257442
Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
977 KB
Volume
234
Category
Article
ISSN
0166-1280

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Ab initio molecular orbital study of the
Ab initio molecular orbital study of the hydrogen-bonded pyrrole ⃛acetonitrile complex
✍ Henri Lumbroso; Giuseppe Concetto Pappalardo 📂 Article 📅 1980 🏛 John Wiley and Sons 🌐 English ⚖ 500 KB

## Abstract The total dipole moments, molecular energies, and π‐electron densities for the linear and orthogonal pyrrole ⃛acetonitrile hydrogen‐bonded complexes were studied in the __ab initio__ valence bond framework using the minimal STO‐3G basis set. That the orthogonal conformation, although sl

Molecular structure of orthosilicic acid
Molecular structure of orthosilicic acid and importance of (p-d)π bonding. An ab initio molecular orbital study
✍ Joachim Sauer 📂 Article 📅 1983 🏛 Elsevier Science 🌐 English ⚖ 353 KB

OH and SiO bond lengths, the SiOH bond angle. favourcd conformations of the protons md rotational barriers are obtained from 6-3 lG\* calculations (assuming a tctr&edral SiO, structure). The role of d orbit& on silicon and/or oxygen atoms is assessed and the origin of the rotationA barriers for sikm