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Molecular orbital treatments of hydrogen bonded systems. 2. Dimers of water and HCN

โœ Scribed by Steve Scheiner


Publisher
Springer
Year
1980
Tongue
English
Weight
508 KB
Volume
57
Category
Article
ISSN
1432-2234

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Molecular orbital theory of the hydrogen
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