English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Zendy Plus

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Zendy Tools

Zendy Open

The transition states and barrier heights for the reactions CH/sub 2/(/sup 3/B/sub 1/) + H/sub 2/ ..-->.. CH/sub 3/ + H and CH/sub 2/(/sup 3/B/sub 1/) + CH/sub 4/ ..-->.. CH/sub 3/ + CH/sub 3/ have been predicted using nonempirical electronic structure theory. Earlier work on the CH/sub 2/(/sup 3/B/sub 1/) + H/sub 2/ reaction has been extended by the addition of polarization functions to the earlier double zeta basis set, and the consideration of five additional degrees of freedom in the potential surface. The earlier conclusions remain essentially unchanged; the transition state occurs for a C/sub 2v/ structure and the barrier height is approximately 15 kcal/mole. For the methane abstraction reaction a barrier height approximately 7 kcal/mole higher was found, implying that neither reaction should occur to a significant degree at room temperature. This conclusion is consistent with the bond-energy bond-order (BEBO) calculations of Carr but in disagreement with the modified intermediate neglect of differential overlap (MINDO) predictions of Dewar.

Transition states for the abstraction reactions of triplet methylene with hydrogen and methane