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Mendeley readers
Attention Score in Context
| Title |
Raman and IR Spectra of Ice Ih and Ice XI with an Assessment of DFT Methods
|
|---|---|
| Published in |
Journal of Physical Chemistry B, October 2016
|
| DOI | 10.1021/acs.jpcb.6b07001 |
| Pubmed ID | |
| Authors |
Yuan Liu, Lars Ojamäe |
| Abstract |
IR and Raman spectroscopic technology can be directly used to identify the occurrence of ferroelectric ice XI in laboratory or extraterrestrial settings. The performance of 16 different DFT methods applied on the ice Ih, VIII, IX, and XI crystal phases are evaluated. Based on a selected DFT computational scheme, the IR and Raman spectra of ice Ih and XI are derived and compared. When comparing the spectra of ice Ih and ice XI, both IR and Raman, the librational vibrations are found to be the most affected by the proton ordering. The spectroscopic fingerprint of ice XI can be used to distinguish ferroelectric ice XI from ice Ih in the universe. Furthermore, the existence of only one kind of H-bond in ice Ih is demonstrated from the overlapping sub-spectra for different types of H-bonded pair configurations in 16 isomers of ice Ih, which provides an illustration to the historic debate on whether one or two kinds of H-bonds existed in ice. |
X Demographics
The data shown below were collected from the profile of 1 X user who shared this research output. Click here to find out more about how the information was compiled.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| Unknown | 1 | 100% |
Demographic breakdown
| Type | Count | As % |
|---|---|---|
| Members of the public | 1 | 100% |
Mendeley readers
The data shown below were compiled from readership statistics for 33 Mendeley readers of this research output. Click here to see the associated Mendeley record.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| Unknown | 33 | 100% |
Demographic breakdown
| Readers by professional status | Count | As % |
|---|---|---|
| Student > Ph. D. Student | 8 | 24% |
| Professor > Associate Professor | 8 | 24% |
| Researcher | 6 | 18% |
| Student > Master | 4 | 12% |
| Student > Bachelor | 1 | 3% |
| Other | 3 | 9% |
| Unknown | 3 | 9% |
| Readers by discipline | Count | As % |
|---|---|---|
| Chemistry | 11 | 33% |
| Physics and Astronomy | 6 | 18% |
| Materials Science | 3 | 9% |
| Environmental Science | 1 | 3% |
| Pharmacology, Toxicology and Pharmaceutical Science | 1 | 3% |
| Other | 4 | 12% |
| Unknown | 7 | 21% |
Attention Score in Context
This research output has an Altmetric Attention Score of 1. This is our high-level measure of the quality and quantity of online attention that it has received. This Attention Score, as well as the ranking and number of research outputs shown below, was calculated when the research output was last mentioned on 13 October 2016.
All research outputs
#20,657,128
of 25,377,790 outputs
Outputs from Journal of Physical Chemistry B
#10,426
of 14,906 outputs
Outputs of similar age
#251,723
of 326,121 outputs
Outputs of similar age from Journal of Physical Chemistry B
#89
of 201 outputs
Altmetric has tracked 25,377,790 research outputs across all sources so far. This one is in the 10th percentile – i.e., 10% of other outputs scored the same or lower than it.
So far Altmetric has tracked 14,906 research outputs from this source. They receive a mean Attention Score of 2.9. This one is in the 20th percentile – i.e., 20% of its peers scored the same or lower than it.
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We're also able to compare this research output to 201 others from the same source and published within six weeks on either side of this one. This one is in the 31st percentile – i.e., 31% of its contemporaries scored the same or lower than it.