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C–H⋯O interaction and water tunneling in the CHClF2–H2O dimer

✍ Scribed by Brandon J. Bills; Lena F. Elmuti; Amelia J. Sanders; Amanda L. Steber; Rebecca A. Peebles; Sean A. Peebles; Peter Groner; Justin L. Neill; Matt T. Muckle; Brooks H. Pate

Book ID
113726517
Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
448 KB
Volume
268
Category
Article
ISSN
0022-2852

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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 chemistries—HF, MP2, and several density functionals paired with the 6‐3