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Ab initio study of the potential energy surfaces for the valence and Rydberg doublet electronic states of HNF

✍ Scribed by Wei-Hai Fang; M. Peric; S.D. Peyerimhoff

Book ID
108430619
Publisher
Elsevier Science
Year
1997
Tongue
English
Weight
730 KB
Volume
223
Category
Article
ISSN
0301-0104

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Ab initio studies of the ground-state po
Ab initio studies of the ground-state potential energy surface of formamide
✍ Gregory M. Wright; Richard J. Simmonds; David E. Parry πŸ“‚ Article πŸ“… 1988 πŸ› John Wiley and Sons 🌐 English βš– 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