A test of ab initio-generated, radial intermolecular potential energy functions for five axially-symmetric, hydrogen-bonded complexes B⋯HF, where B = N2, CO, PH3, HCN and NH3
Keyword(s):
Radial P.E. functions of hydrogen-bonded complexes B⋯HF (B = N2, CO, PH3, HCN and NH3) have been calculated ab initio at the CCSD(T)(F12C)/cc-pVTZ-F12 level as a function of the hydrogen-bond length r(Z⋯H), where Z is the H-bond acceptor atom of B.
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1991 ◽
Vol 180
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pp. 381-386
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1961 ◽
Vol 3
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pp. 221-227
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1993 ◽
Vol 283
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pp. 57-62
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1974 ◽
Vol 26
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pp. 284-287
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1965 ◽
Vol 42
(11)
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pp. 3891-3899
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1987 ◽
Vol 140
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pp. 53-56
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2009 ◽
Vol 24
(S17)
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pp. 197-198