Theoretical determination of the standard enthalpies of formation of alkyl radicals using the concept of a complete set of homodesmotic reactions.

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作者： Ekaterina S,Akhmetshina ^[1] ; Sergey L,Khursan ^[2]

作者单位： Institution of Russian Academy of Sciences Institute of Organic Chemistry, Ufa Scientific Centre of the RAS, 71 Prospect Oktyabrya, 450054, Ufa, Russian Federation. ^[1] Institution of Russian Academy of Sciences Institute of Organic Chemistry, Ufa Scientific Centre of the RAS, 71 Prospect Oktyabrya, 450054, Ufa, Russian Federation. Electronic address: KhursanSL@anrb.ru. ^[2]

关键词 Bond dissociation energy Complete set of homodesmotic reactions Enthalpy of formation Free alkyl radicals Thermochemistry

主题词人类(Humans);听觉丧失, 感音神经性(Hearing Loss, Sensorineural);甲状旁腺功能减退症(Hypoparathyroidism)

DOI 10.1016/j.jmgm.2023.108615

PMID 37647723

发布时间 2023-09-25

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