Structural transition in the OH−(H2O)ncluster in water vapors
✍ Scribed by S. V. Shevkunov
- Book ID
- 110211082
- Publisher
- Springer
- Year
- 2008
- Tongue
- English
- Weight
- 349 KB
- Volume
- 70
- Category
- Article
- ISSN
- 1061-933X
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📜 SIMILAR VOLUMES
We have studied the O ϩ OH 4 O 2 ϩ H reaction on Varandas's DMBE IV potential using a variety of statistical methods, all involving the RRKM assumption for the HO complex. \* 2 Comparing our results using microcanonical variational transition-state theory (VT) with those using microcanonical/fixed-
## 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