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Ab initio configuration-interaction studies of the ground state potential energy and hyperfine coupling constants of 35 Cl -2

โœ Scribed by Karna, S.P.; Grein, Friedrich; Engels, B.; Peyerimhoff, S.D.


Book ID
127175987
Publisher
Taylor and Francis Group
Year
1990
Tongue
English
Weight
551 KB
Volume
69
Category
Article
ISSN
0026-8976

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Ab initio studies of the ground-state po
โœ Gregory M. Wright; Richard J. Simmonds; David E. Parry ๐Ÿ“‚ Article ๐Ÿ“… 1988 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 399 KB

A b initio calculations employing a standard double-zeta basis set augmented with various polarization functions have been used to investigate the lowest energy region of the ground-state potential energy surface of the formamide molecule. Hartree-Fock calculations with only d polarization functions