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Ab initioSCF MO study of hydrogen bonds between H2S and H2O molecules

✍ Scribed by Guillermo del Conde P., Octavio A. Novaro

Book ID
120750869
Publisher
Springer
Year
1979
Tongue
English
Weight
216 KB
Volume
51
Category
Article
ISSN
1432-2234

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✍ Z. Latajka; M. M. SzczΓ§Ε›niak; H. Ratajczak; W. J. Orville-Thomas πŸ“‚ Article πŸ“… 1980 πŸ› John Wiley and Sons 🌐 English βš– 185 KB

## Abstract The hydrogen‐bonded complex between nitric acid and ammonia molecules has been studied by the __ab initio__ molecular orbital method using the 4‐31G basis set. The calculated interaction energy for the complex (Ξ”__E__ = βˆ’91.4 kJ mole^βˆ’1^) indicates that one is dealing with the strongest