1887
banner image
No data available.
Please log in to see this content.
You have no subscription access to this content.
No metrics data to plot.
The attempt to load metrics for this article has failed.
The attempt to plot a graph for these metrics has failed.
Vibrational Raman spectra of hydrogen clathrate hydrates from density functional theory
Rent:
Rent this article for
USD
10.1063/1.4795610
/content/aip/journal/jcp/138/12/10.1063/1.4795610
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/12/10.1063/1.4795610

Figures

Image of FIG. 1.
FIG. 1.

Optimized structures of 512H2, 51264H2, 51264THF, and 51262H2·THF cages.

Image of FIG. 2.
FIG. 2.

Symmetric stretch of H2 molecule in 512H2, 51264, 51264H2, and 51262H2·THF cages.

Image of FIG. 3.
FIG. 3.

The symmetric and asymmetric stretch vibrations in (a) 512 and 512H2 cages, (b) 51264, 51264H2, and 51262H2·THF cages.

Image of FIG. 4.
FIG. 4.

Mid-frequency and low frequency Raman spectra in (a) 512 and 512H2 cages, (b) 51264, 51264H2, and 51262H2·THF cages.

Tables

Generic image for table
Table I.

Raman frequencies (cm−1) peak assignment in the 512, 512H2, 51264, 51264H2, 51264THF, and 51264H2·THF cages (reference: isolated H2).

Loading

Article metrics loading...

/content/aip/journal/jcp/138/12/10.1063/1.4795610
2013-03-25
2014-04-23
Loading

Full text loading...

This is a required field
Please enter a valid email address
752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Vibrational Raman spectra of hydrogen clathrate hydrates from density functional theory
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/12/10.1063/1.4795610
10.1063/1.4795610
SEARCH_EXPAND_ITEM