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An ab initio study of the potential energy surface in the S1 state of 2-hydroxypyridine

✍ Scribed by Andrzej L. Sobolewski; Ludwik Adamowicz


Book ID
108430534
Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
687 KB
Volume
213
Category
Article
ISSN
0301-0104

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Ab initio studies of the ground-state po
✍ 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