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Ab initio theoretical calculation and potential energy surface for ground-state HO3

โœ Scribed by H.G. Yu; A.J.C. Varandas


Book ID
108312182
Publisher
Elsevier Science
Year
2001
Tongue
English
Weight
163 KB
Volume
334
Category
Article
ISSN
0009-2614

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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