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Free O-H anharmonic stetching motions in H+(CH3OH)1−3 with/without attached argon
Chuang, Hsiao-Han
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https://hdl.handle.net/2142/50807
Description
- Title
- Free O-H anharmonic stetching motions in H+(CH3OH)1−3 with/without attached argon
- Author(s)
- Chuang, Hsiao-Han
- Contributor(s)
- Fujii, Asuka
- Takahashi, Kaito
- Kuo, Jer-Lai
- Issue Date
- 2014-06-19
- Keyword(s)
- Theory and Computation
- Date of Ingest
- 2014-09-17T16:54:59Z
- 2015-04-14T18:40:51Z
- Abstract
- The free O-H stretching modes of H$^{+}$(CH$_{3}$OH)$_{1-3}$ clusters with/without argon have been unraveled by combining Infrared Pre-Dissociation (IR-PD) spectra and multidimensional normal mode analysis by Density Functional Theory (DFT) methods. Experimental IR-PD spectra have shown sharp peaks between 3200 and 3800 \wn, and these peaks shift when the size of cluster is varied, as well as increasing the number of argon attachment. We benchmarked several DFT and ab initio methods and the results shown that the free O-H stretching modes can well described by using a few selected normal mode coordinates with standard DFT methods.
- Publisher
- International Symposium on Molecular Spectroscopy
- Type of Resource
- text
- Genre of Resource
- Conference Paper / Presentation
- Language
- English
- Permalink
- http://hdl.handle.net/2142/50807
- DOI
- https://doi.org/10.15278/isms.2014.RC09
- Copyright and License Information
- Copyright 2014 by the authors. Licensed under a Creative Commons Attribution 4.0 International License. http://creativecommons.org/licenses/by/4.0/
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