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AB initio computation of the quadratic force field of diborane

โœ Scribed by D.G. Lister; G.D. Nivellini; Paolo Palmieri


Book ID
119115557
Publisher
Elsevier Science
Year
1981
Tongue
English
Weight
254 KB
Volume
85
Category
Article
ISSN
0166-1280

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The ab initio limit quartic force field
โœ Michael S. Schuurman; Wesley D. Allen; Henry F. Schaefer III ๐Ÿ“‚ Article ๐Ÿ“… 2005 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 95 KB ๐Ÿ‘ 1 views

## Abstract The complete quartic force field of BH~3~ has been converged to the __ab initio__ limit by extrapolation of coreโ€valence correlationโ€consistent basis set series (ccโ€pCV__X__Z, __X__ = T, Q, 5) of allโ€electron CCSD(T) (coupledโ€cluster singles and doubles with perturbative triples) energy