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Semiclassical molecular dynamics simulations of intramolecular proton transfer in photoexcited 2-(2′-hydroxyphenyl)–oxazole
December 2000
December 2000
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Most cited references62
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Toward a systematic molecular orbital theory for excited states
James Foresman, Martin Head-Gordon, John A. Pople … (1992)
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Proton transfer in solution: Molecular dynamics with quantum transitions
Sharon Hammes-Schiffer, John C. Tully (1994)
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A semiclasical justification for the use of non-spreading wavepackets in dynamics calculations
Michael F. Herman, Edward Kluk (1984)