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Hydrogen tunnelling direct dynamics approach

The rate of hydrogen transfer can be calculated using the direct dynamics approach of Truhlar and co-workers which combines canonical variational transition state theory (CVT) [82, 83] with semi-classical multidimensional tunnelling corrections [84], The rate constant is calculated using [83] ... [Pg.117]

See other pages where Hydrogen tunnelling direct dynamics approach is mentioned: [Pg.858]    [Pg.34]    [Pg.1311]    [Pg.1442]    [Pg.1207]    [Pg.471]    [Pg.551]    [Pg.272]   
See also in sourсe #XX -- [ Pg.117 ]



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Direct dynamics

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Direct tunneling

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Dynamic approach

Dynamical approaches

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