N + CN → C + N 2 : A global potential energy surface, entrance channel recrossing and the applicability of capture theory

Frankcombe, Terry
McNeil, Steven
Nyman, Gunnar

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Publication date

February 2016

DOI

10.1016/j.cplett.2011.08.047

Publisher

Elsevier BV

ISSN

0009-2614

Journal

Chemical Physics Letters

Citation count (estimate)

Abstract

A global potential energy surface for the CN2 system has been developed with the aim of studying the N+CN→C+N2 reaction at low temperatures. A three-dimensional analytic functional form has been fit to CASPT3/cc-pVQZ energies. Classical trajectory simu

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N + CN → C + N 2 : A global potential energy surface, entrance channel recrossing and the applicability of capture theory

Abstract

Extracted data

N + CN → C + N 2 : A global potential energy surface, entrance channel recrossing and the applicability of capture theory

Abstract

Extracted data

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