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Ground state hydrogen fluoride

HF Hydrogen fluoride has served also as a benchmark molecule. A good summary of experimental and theoretical work on this molecule (ground and several excited states) was written by Feller and Peterson [93], where it is indicated that a CCSD(T)/cc-pCV5Z calculation yields a bond energy of 141.2 kcal/mol and the experimental value is 141.6 kcal/mol for the ground state... [Pg.201]

XXXVI compares properties for hydrogen fluoride. Most of the contribution to the complete value for the vibrational-electronic ground state comes from the change in the potential, and this reinforces the validity of doubly harmonic analyses. The difference between the vibrationally averaged and complete values is small for a but quite significant for p, as Adamowicz and Bartlett first discovered [70]. [Pg.99]

See other pages where Ground state hydrogen fluoride is mentioned: [Pg.42]    [Pg.104]    [Pg.153]    [Pg.54]    [Pg.196]    [Pg.346]    [Pg.104]    [Pg.213]    [Pg.271]    [Pg.104]    [Pg.75]    [Pg.76]    [Pg.270]    [Pg.1053]    [Pg.1053]    [Pg.224]    [Pg.11]    [Pg.95]    [Pg.241]    [Pg.405]    [Pg.42]    [Pg.1062]    [Pg.405]    [Pg.153]    [Pg.42]    [Pg.44]    [Pg.270]    [Pg.391]   
See also in sourсe #XX -- [ Pg.6 , Pg.95 ]



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