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Defining the bond energy of a strong hydrogen bond

✍ Scribed by John Emsley; Richard E. Overill


Book ID
107731980
Publisher
Elsevier Science
Year
1979
Tongue
English
Weight
160 KB
Volume
65
Category
Article
ISSN
0009-2614

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Non-empirical valence bond calculation o
✍ Shiro Takashima πŸ“‚ Article πŸ“… 1972 πŸ› Wiley (John Wiley & Sons) 🌐 English βš– 463 KB πŸ‘ 2 views

## Abstract An approximate __ab‐initio__ valence bond calculation of hydrogen bond energy was carried out and the results are discussed. The total bond energy of a simplified Nο£ΏH…O structure is calculated for various Nο£ΏH and N…O distances and the potential energy profiles are obtained. The hydrogen