A partial open shell FSGO calculation on the triplet methylene abstraction reaction with the hydrogen molecule: 3CH2 + H2 = CH3 + H |
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| Authors: | L.P. Tan |
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| Affiliation: | Department of Physical Chemistry, University of Cambridge, Cambridge CB2 1EP, UK |
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| Abstract: | ![]()
A partial open shell FSGO method is used to study the reaction path for the triplet methylene abstraction reaction with the hydrogen molecule, and the results obtained compare favourably with those from larger ab initio calculations. |
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