Quantum effects in the abstraction reaction by H atoms of primary and secondary hydrogens in n-C4H10: a test of a new potential energy surface construction method.

Quantum effects in the abstraction reaction by H atoms of primary and secondary hydrogens in n-C4H10: a test of a new potential energy surface construction method.

Recently, von Horsten et al. suggested an efficient method to construct two dimensional potential energy surfaces (PESs) for use in quantum scattering simulations, in which they utilised the minimum energy path (MEP) and assumed harmonic behaviour of the PES near the MEP. In the same paper, the auth...

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Dettagli Bibliografici
Autori principali:	Shan, X, Clary, D
Natura:	Journal article
Lingua:	English
Pubblicazione:	2013

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