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X Demographics
Mendeley readers
Attention Score in Context
| Title |
Hybrid Complex Polarization Propagator/Molecular Mechanics Method for Heterogeneous Environments
|
|---|---|
| Published in |
Journal of Chemical Theory and Computation, May 2016
|
| DOI | 10.1021/acs.jctc.6b00255 |
| Pubmed ID | |
| Authors |
Zilvinas Rinkevicius, Jaime A. R. Sandberg, Xin Li, Mathieu Linares, Patrick Norman, Hans Ågren |
| Abstract |
We introduce a hybrid complex polarization propagator/molecular mechanics method for the calculation of near-resonant and resonant response properties of molecules in heterogeneous environments, which consist of a metallic surface, or nanoparticle, and a solvent. The applicability and performance of the method is demonstrated by computations of linear absorption spectra of para-nitroaniline physisorbed at a gold/dimethylsulfoxide interface in the UV/Vis and near carbon K-edge regions of the spectrum. It is shown that the shift of absorption cross section induced by the heterogeneous environment varies significantly depending on the nature of excited states encountered in the targeted frequency region as well as on the actual size of the resonant frequencies, and that the solvent component of heterogeneous environment is responsible for the major part of environmental shift, especially in the higher frequency range of the carbon K-edge region. |
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 13 Mendeley readers of this research output. Click here to see the associated Mendeley record.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| Sweden | 1 | 8% |
| Unknown | 12 | 92% |
Demographic breakdown
| Readers by professional status | Count | As % |
|---|---|---|
| Researcher | 4 | 31% |
| Professor > Associate Professor | 3 | 23% |
| Student > Ph. D. Student | 1 | 8% |
| Student > Doctoral Student | 1 | 8% |
| Student > Master | 1 | 8% |
| Other | 1 | 8% |
| Unknown | 2 | 15% |
| Readers by discipline | Count | As % |
|---|---|---|
| Chemistry | 9 | 69% |
| Physics and Astronomy | 2 | 15% |
| Unknown | 2 | 15% |
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 12 May 2016.
All research outputs
#17,802,399
of 22,869,263 outputs
Outputs from Journal of Chemical Theory and Computation
#4,625
of 6,744 outputs
Outputs of similar age
#214,308
of 309,572 outputs
Outputs of similar age from Journal of Chemical Theory and Computation
#71
of 121 outputs
Altmetric has tracked 22,869,263 research outputs across all sources so far. This one is in the 19th percentile – i.e., 19% of other outputs scored the same or lower than it.
So far Altmetric has tracked 6,744 research outputs from this source. They receive a mean Attention Score of 3.9. This one is in the 22nd percentile – i.e., 22% of its peers scored the same or lower than it.
Older research outputs will score higher simply because they've had more time to accumulate mentions. To account for age we can compare this Altmetric Attention Score to the 309,572 tracked outputs that were published within six weeks on either side of this one in any source. This one is in the 26th percentile – i.e., 26% of its contemporaries scored the same or lower than it.
We're also able to compare this research output to 121 others from the same source and published within six weeks on either side of this one. This one is in the 36th percentile – i.e., 36% of its contemporaries scored the same or lower than it.