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Quantum Chemical Study of the Bimolecular Complex of HONO

✍ Scribed by Wieczorek, Robert; Latajka, Zdzislaw; Lundell, Jan

Book ID
127181340
Publisher
American Chemical Society
Year
1999
Tongue
English
Weight
62 KB
Volume
103
Category
Article
ISSN
1089-5639

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πŸ“œ SIMILAR VOLUMES

Quantum chemical study of the trimethyla
Quantum chemical study of the trimethylamineβ€”hydrogen chloride complex
✍ George B. Bacskay; J.Simon Craw πŸ“‚ Article πŸ“… 1994 πŸ› Elsevier Science 🌐 English βš– 672 KB

The results of an ab initio quantum chemical study, carried out largely at the MP2 level of theory, are reported for the trimethylamine-hydrogen chloride complex. The resulting geometry, harmonic frequencies and properties such as dipole moment and electric field gradients at the Cl and N nuclei are