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Ab Initio Molecular-Orbital Study of Hydrogen-Bonded Complexes of Carbonyl Aliphatic Compounds and Hydrogen Fluoride

โœ Scribed by Bobadova-Parvanova, Petia; Galabov, Boris


Book ID
126937377
Publisher
American Chemical Society
Year
1998
Tongue
English
Weight
57 KB
Volume
102
Category
Article
ISSN
1089-5639

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Ab initio molecular orbital study of the
โœ Henri Lumbroso; Giuseppe Concetto Pappalardo ๐Ÿ“‚ Article ๐Ÿ“… 1980 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 500 KB

## Abstract The total dipole moments, molecular energies, and ฯ€โ€electron densities for the linear and orthogonal pyrrole โƒ›acetonitrile hydrogenโ€bonded complexes were studied in the __ab initio__ valence bond framework using the minimal STOโ€3G basis set. That the orthogonal conformation, although sl