Potential energy construction in the diabatic picture for quantum mechanical rate constants of intermolecular proton transfer
2017 ◽
Vol 19
(25)
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pp. 16857-16866
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Keyword(s):
We propose a simple method for potential construction in the diabatic picture and the estimation of thermal rate constants for intermolecular proton transfer reactions using quantum dynamics simulations carried out on the constructed potentials.
2015 ◽
Vol 14
(02)
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pp. 1550013
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1979 ◽
Vol 57
(12)
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pp. 1518-1523
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Keyword(s):
Keyword(s):
2010 ◽
Vol 132
(21)
◽
pp. 7549-7555
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2002 ◽
Vol 106
(30)
◽
pp. 7018-7025
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Keyword(s):