Which Is Better at Predicting Quantum-Tunneling Rates: Quantum Transition-State Theory or Free-Energy Instanton Theory?

Zhang, Yanchuan; Stecher, Thomas; Cvitas, Marko T; Althorpe, Stuart C

Zhang, Yanchuan; Stecher, Thomas; Cvitas, Marko T; Althorpe, Stuart C.

Afiliação

Zhang Y; Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom.
Stecher T; Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom.
Cvitas MT; Ruder Boskovic Institute, Department of Physical Chemistry, Bijenicka Cesta 54, 10000 Zagreb, Croatia.
Althorpe SC; Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom.

J Phys Chem Lett ; 5(22): 3976-80, 2014 Nov 20.

Article em En | MEDLINE | ID: mdl-26276480

Palavras-chave

dynamics; quantum tunneling

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Prognostic_studies / Risk_factors_studies Idioma: En Ano de publicação: 2014 Tipo de documento: Article

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