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Symmetrical hydrogen bonding: molecular orbital theory of the .pi.-electron component

โœ Scribed by Haddon, R. C.

Book ID
121283350
Publisher
American Chemical Society
Year
1980
Tongue
English
Weight
528 KB
Volume
102
Category
Article
ISSN
0002-7863

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๐Ÿ“œ SIMILAR VOLUMES

Thermodynamics of hydrogen bonding from
Thermodynamics of hydrogen bonding from molecular orbital theory: 2. Organics
โœ Jeffrey P. Wolbach; Stanley I. Sandler ๐Ÿ“‚ Article ๐Ÿ“… 1997 ๐Ÿ› American Institute of Chemical Engineers ๐ŸŒ English โš– 815 KB

## Hartree-Fock theory and density functional theory were used to compute the enthalpy and entropy changes of dimerization for a number of hydrogen-bonding compounds. In Part 1, the calculational methods and procedures use for the water dimer are described, and the results obtained are compared with