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Gaussian basis sets for use in correlated molecular calculations. VI. Sextuple zeta correlation consistent basis sets for boron through neon

โœ Scribed by Angela K. Wilson; Tanja van Mourik; Thom H. Dunning Jr.


Book ID
114142318
Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
747 KB
Volume
388
Category
Article
ISSN
0166-1280

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Gaussian basis sets for use in correlate
โœ Tanja Van Mourik; Thom H. Dunning Jr. ๐Ÿ“‚ Article ๐Ÿ“… 2000 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 399 KB

Standard and augmented correlation consistent sextuple zeta cc-pV6Z . and aug-cc-pV6Z basis sets have been determined for the second-row atoms aluminum through argon. Using these sets, dissociation energies and spectroscopic constants for the ground states of HCl, PN, and P have been calculated usi