Electrochemical activation of halogen bonding
نویسندگان
چکیده
منابع مشابه
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We have carried out extensive computational analyses of the structure and bonding mechanism in trihalides DX⋅⋅⋅A(-) and the analogous hydrogen-bonded complexes DH⋅⋅⋅A(-) (D, X, A=F, Cl, Br, I) using relativistic density functional theory (DFT) at zeroth-order regular approximation ZORA-BP86/TZ2P. One purpose was to obtain a set of consistent data from which reliable trends in structure and stab...
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ژورنال
عنوان ژورنال: Current Opinion in Electrochemistry
سال: 2019
ISSN: 2451-9103
DOI: 10.1016/j.coelec.2019.04.005