Quantifying Through‐Space Substituent Effects
نویسندگان
چکیده
منابع مشابه
Substituent effects on 61Ni NMR chemical shifts.
(61)Ni chemical shifts of Ni(all-trans-cdt)L (cdt = cyclododecatriene, L = none, CO, PMe(3)), Ni(CO)(4), Ni(C(2)H(4))(2)(PMe(3)), Ni(cod)(2) (cod = cyclooctadiene) and Ni(PX(3))(4) (X = Me, F, Cl) are computed at the GIAO (gauge-including atomic orbitals), BPW91, B3LYP and BHandHLYP levels, using BP86-optimised geometries and an indirect referencing scheme. For this set of compounds, substituen...
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ژورنال
عنوان ژورنال: Angewandte Chemie International Edition
سال: 2020
ISSN: 1433-7851,1521-3773
DOI: 10.1002/anie.202006943