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Solvent effects in the chemical shifts for OH protons in compounds with strong O-H...O intramolecular hydrogen bonds

✍ Scribed by N. N. Shapet'ko


Book ID
112363686
Publisher
Springer
Year
1967
Tongue
English
Weight
156 KB
Volume
1
Category
Article
ISSN
0040-5760

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## 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 chemistriesβ€”HF, MP2, and several density functionals paired with the 6‐3