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Double exchange and superexchange interaction in the mixed-valence complex [LFe(μ-OH)3FeL] (ClO4)2·2CH3OH·2H2O

✍ Scribed by S. Drüeke; Ph. Chaudhuri; K. Wieghardt; X.-Q. Ding; E.L. Bominaar; E. Bill; H. Winkler; A.X. Trautwein

Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
108 KB
Volume
36
Category
Article
ISSN
0162-0134

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Interaction energy and the shift in OH s
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✍ Richard Kramer Campen; James D. Kubicki 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 122 KB 👁 2 views

## Abstract The ability to use calculated OH frequencies to assign experimentally observed peaks in hydrogen bonded systems hinges on the accuracy of the calculation. Here we test the ability of several commonly employed model chemistries—HF, MP2, and several density functionals paired with the 6‐3