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Ab initio SCF and CI studies on the ground state of the water molecule. II. Potential energy and property surfaces

โœ Scribed by Rosenberg, Bruce J.


Book ID
121509933
Publisher
American Institute of Physics
Year
1976
Tongue
English
Weight
874 KB
Volume
65
Category
Article
ISSN
0021-9606

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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