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Infrared Spectroscopy in H2O, D2O and CH3OH

โœ Scribed by Nachod, Frederick C.; Martini, C. M.


Book ID
115357533
Publisher
Society for Applied Spectroscopy
Year
1959
Tongue
English
Weight
357 KB
Volume
13
Category
Article
ISSN
0003-7028

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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 chemistriesโ€”HF, MP2, and several density functionals paired with the 6โ€3