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• W2085386046 abstract "The A, B, B′←X absorption spectrum of LiHF has been simulated and compared to recent experimental data by Polanyi and co-workers [J. Chem. Phys. 113 (2000) 9897]. Global potential energy surfaces were fitted for the four electronic states involved, based on about 3000 ab initio adiabatic energies calculated at MRDCI level. A single rotational transition J=0←J=1 was simulated using a wavepacket method for several vibrational states of the LiHF(X) complex. The rotational and vibrational temperature were fitted to reproduce the experimental results. The attribution of some peaks of the spectrum differs from that made in the experimental work." @default.
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• W2085386046 date "2002-01-01" @default.
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• W2085386046 title "Transition state spectroscopy of the excited electronic states of LiHF" @default.
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• W2085386046 doi "https://doi.org/10.1016/s0009-2614(01)01387-2" @default.
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