Modeling IR spectra of CO2 isotopologues and CH4 trapped In type I clathrate
To test the hypothesis of atmospheric carbon dioxide or methane storage in metastable clathrate, a theoretical formalism is developed to model and simulate the spectra of the CO2 or CH4 molecule trapped in clathrates. 12-6 Lennard-Jones atomatom potentials are used to account for short and long ran...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
EDP Sciences
2014-02-01
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| Series: | BIO Web of Conferences |
| Online Access: | http://dx.doi.org/10.1051/bioconf/20140203008 |