Article ID Journal Published Year Pages File Type
5383929 Chemical Physics Letters 2011 6 Pages PDF
Abstract
► Highly correlated ab initio methods confirm the existence of a potential barrier in the N(2D) + methane reaction. ► We suggest a barrier height of 3.86 ± 0.84 kJ/mol for the entrance transition state of the N(2D) + methane reaction. ► MS-MR-SDCI method corrected for SCE and BSSE has been used in present work.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Towards a converged barrier height for the entrance channel transition state of the N(2D) + CH4 reaction and its implication for the chemistry in Titan's atmosphere
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