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• W2027888715 abstract "The potential-energy hypersurface of the FH…OH2 complex is investigated by following the variations of three coordinates: the r1 (FH) and r2(H…O) bond lengths and the out-of-plane β(FHO) angle. The energy values E(r1, r2,β), calculated at the SCF level are distributed in the four-dimensional space E, r1, r2,β and fitted to the fourth order by an analytical surface from which a force field is deduced. The accuracy of the results and their implication for the calculation of vibrational modes are discussed." @default.
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• W2027888715 date "1983-08-01" @default.
• W2027888715 modified "2023-09-25" @default.
• W2027888715 title "Cubic and quartic force constants of some stretching and out-of-plane bending modes of the FH…OH2 complex: A three-dimensional hypersurface analysis" @default.
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• W2027888715 doi "https://doi.org/10.1016/0009-2614(83)80168-7" @default.
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