Reactivity of Monoterpene Criegee Intermediates at Gas–Liquid Interfaces

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Infrared identification of the Criegee intermediates syn- and anti-CH3CHOO, and their distinct conformation-dependent reactivity

hydroperoxide predicted with the NEVPT2(8,8)/aug-cc-pVDZ method, and f, syn-CH 3 CHIOO and g, anti-CH 3 CHIOO predicted with the NEVPT2(1,1)/aug-cc-pVDZ method. The bond distances are given in Å (black) and the bond angles are given in degree (blue).

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ژورنال

عنوان ژورنال: The Journal of Physical Chemistry A

سال: 2018

ISSN: 1089-5639,1520-5215

DOI: 10.1021/acs.jpca.8b06914