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Molecular orbital theory of the hydrogen bond. XIII. Pyridine and pyrazine as proton acceptors

โœ Scribed by Del Bene, Janet E.

Book ID
127074347
Publisher
American Chemical Society
Year
1975
Tongue
English
Weight
813 KB
Volume
97
Category
Article
ISSN
0002-7863

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๐Ÿ“œ SIMILAR VOLUMES

Molecular orbital theory of the hydrogen
Molecular orbital theory of the hydrogen bond. XXX. Water-cytosine complexes
โœ Janet E. Del Bene ๐Ÿ“‚ Article ๐Ÿ“… 1983 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 689 KB

Ab initio SCF and SCF-CI calculations with the STO-3G basis set have been performed to investigate the structures and energies of water-cytosine complexes and the intermolecular water-cytosine surface in the cytosine molecular plane. Although there are six nominal hydrogen-bonding sites in this plan