## 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
Thermodynamics of hydrogen bonding from molecular orbital theory: 1. Water
β Scribed by Jeffrey P. Wolbach; Stanley I. Sandler
- Publisher
- American Institute of Chemical Engineers
- Year
- 1997
- Tongue
- English
- Weight
- 889 KB
- Volume
- 43
- Category
- Article
- ISSN
- 0001-1541
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## Synopsis Concentration and temperature dependences of the 'H nmr spectra of N-acetyl-L-proline N-methylamide were observed in various solvents [CCld, CDCl:j, (CD:j)&O, (CD:JaSO, H&, and D20]. The fraction of the cis isomer (with respect to the bond between the acetyl carbonyl carbon and prolyl