๐”– Bobbio Scriptorium
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Accurate ab Initio Quartic Force Fields and Thermochemistry of FNO and ClNO

โœ Scribed by Martin, Jan M. L.; Francois, Jean-Pierre; Gijbels, Renaat


Book ID
121433062
Publisher
American Chemical Society
Year
1994
Tongue
English
Weight
843 KB
Volume
98
Category
Article
ISSN
0022-3654

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๐Ÿ“œ SIMILAR VOLUMES


Accurate ab initio quartic force fields
โœ J.M.L. Martin; Timothy J. Lee ๐Ÿ“‚ Article ๐Ÿ“… 1992 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 796 KB

The quartic force fields of BHs and BeH, have been computed ab initio using an augmented coupled cluster (CCSD(T) ) method and basis sets of spdf and spdfg quality. For BH,, the computed spectroscopic constauts are in very good agreement with recent experimental data, and definitively confirm misass

Accurate ab-Initio Quartic Force Fields
โœ J.M.L. Martin; J.P. Francois; R. Gijbels ๐Ÿ“‚ Article ๐Ÿ“… 1995 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 645 KB

The quartic force fields of the \(\mathrm{H}_{2} \mathrm{~S}, \mathrm{CS}_{2}, \mathrm{OCS}\), and \(\mathrm{CS}\) molecules have been computed using the \(\operatorname{CCSD}(\mathrm{T})\) augmented coupled cluster method and \(s p d f\) and spdfg basis sets. Neglect of core correlation results in