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Spectroscopic studies concerning the structure and the thermodynamic behaviour of H2O, CH3OH and C2H5OH

✍ Scribed by Luck, Werner A. P.

Book ID
118033897
Publisher
Royal Society of Chemistry
Year
1967
Weight
844 KB
Volume
43
Category
Article
ISSN
0366-9033

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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