An energy based parameter for the assessment of aggregate bond energy
β Scribed by S. R. RAINE; H. B. SO
- Book ID
- 108717973
- Publisher
- John Wiley and Sons
- Year
- 1993
- Tongue
- English
- Weight
- 703 KB
- Volume
- 44
- Category
- Article
- ISSN
- 1351-0754
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π SIMILAR VOLUMES
Energy calculations in various approximations for small cationic water clusters have been used to estimate energy parameters in the @ Hamiltonian for proton movement in the chain of hydrogen-bonded molecules. It was shown that the coupling between protons on adjacent hydrogen bonds is far too small
An empirical formula for the calculation of bond dissociation energies D(A--B) is suggested: where uA and czB are constants characteristic of radicals A-and B. while u is eitherc,A orc~B, whichever has the smaller value. Values of c, for thirty-four organic and inorganic radicals have been determi