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Ab initio SCF study of the interaction between L-serine phosphate and ammonia

✍ Scribed by Y. Nakamura; S. Lunell


Book ID
104582647
Publisher
John Wiley and Sons
Year
1989
Tongue
English
Weight
488 KB
Volume
36
Category
Article
ISSN
0020-7608

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πŸ“œ SIMILAR VOLUMES


Ab initio SCF and MRD CI studies of the
✍ Abani B. Sannigrahi; Sigrid D. Peyerimhoff πŸ“‚ Article πŸ“… 1984 πŸ› Elsevier Science 🌐 English βš– 398 KB

The equilibrium geometry and hydrogen-bonding energy of the heterobiialide ion FHCl-have been calculated by ab initio SCF and hIRD CI methods using an A0 basis set of near Hartree-Fock quality. In the most stable (linear) conformation of this ion, the equilibrium F-Cl/F-H distances are predicted to