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- W2017243172 abstract "Abstract The OH stretching vibrations of phenol (Ph), phenol cation ([Ph] + ), phenol–water complex (Ph–H 2 O) and phenol–water cationic complex ([Ph–H 2 O] + ) are investigated theoretically in terms of ab initio potential energy surfaces, vibrational wavefunctions, and infrared absorption intensities. It was found that the anharmonic coupling between the hydrogen-bonded OH stretching and bending vibrations in [Ph–H 2 O] + is much stronger than those in Ph, [Ph] + and Ph–H 2 O, resulting in vibrational wavefunction mixing and infrared intensity borrowing." @default.
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- W2017243172 date "2003-04-01" @default.
- W2017243172 modified "2023-09-26" @default.
- W2017243172 title "A theoretical study of strong anharmonic coupling between OH stretching and bending modes in phenol–water cationic complex" @default.
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- W2017243172 doi "https://doi.org/10.1016/s0009-2614(03)00351-8" @default.
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