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Structure of the Benzene···ICl Complex: A UVPES and ab Initio Molecular Orbital Study †

✍ Scribed by Salai Cheettu Ammal, S.; Ananthavel, S. P.; Venuvanalingam, P.; Hegde, M. S.


Book ID
125931388
Publisher
American Chemical Society
Year
1998
Tongue
English
Weight
73 KB
Volume
102
Category
Article
ISSN
1089-5639

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Ab initio molecular orbital study of the
✍ 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