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The unrestricted local properties: application in nanoelectronics and for predicting radicals reactivity

Overview of attention for article published in Journal of Molecular Modeling, February 2014
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Mentioned by

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1 tweeter

Citations

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3 Dimensions

Readers on

mendeley
2 Mendeley
Title
The unrestricted local properties: application in nanoelectronics and for predicting radicals reactivity
Published in
Journal of Molecular Modeling, February 2014
DOI 10.1007/s00894-014-2134-7
Pubmed ID
Authors

Pavlo O. Dral

Abstract

The local electron affinity (EA(L)) and the local ionization energy (IE(L)) are successfully used for predicting properties of closed-shell species for drug design and for nanoelectronics. Here the respective unrestricted Hartree-Fock variants of EA(L) and IE(L), i.e., the unrestricted local electron affinity (UHF-EA(L)) and ionization energy (UHF-IE(L)), have been shown to be useful for predicting properties of open-shell species. UHF-EA(L) and UHF-IE(L) have been applied for explaining unique electronic properties of an exemplary nanomaterial carbon peapod. It is also demonstrated that UHF-EA(L) is useful for predicting and better understanding reactivity of radicals related to alkanes activation.

Twitter Demographics

The data shown below were collected from the profile of 1 tweeter who shared this research output. Click here to find out more about how the information was compiled.

Mendeley readers

The data shown below were compiled from readership statistics for 2 Mendeley readers of this research output. Click here to see the associated Mendeley record.

Geographical breakdown

Country Count As %
Unknown 2 100%

Demographic breakdown

Readers by professional status Count As %
Student > Postgraduate 1 50%
Unknown 1 50%
Readers by discipline Count As %
Chemistry 1 50%
Unknown 1 50%

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 24 June 2014.
All research outputs
#7,639,030
of 12,224,959 outputs
Outputs from Journal of Molecular Modeling
#202
of 418 outputs
Outputs of similar age
#100,061
of 198,212 outputs
Outputs of similar age from Journal of Molecular Modeling
#7
of 17 outputs
Altmetric has tracked 12,224,959 research outputs across all sources so far. This one is in the 23rd percentile – i.e., 23% of other outputs scored the same or lower than it.
So far Altmetric has tracked 418 research outputs from this source. They receive a mean Attention Score of 2.3. This one is in the 42nd percentile – i.e., 42% 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 198,212 tracked outputs that were published within six weeks on either side of this one in any source. This one is in the 38th percentile – i.e., 38% of its contemporaries scored the same or lower than it.
We're also able to compare this research output to 17 others from the same source and published within six weeks on either side of this one. This one is in the 35th percentile – i.e., 35% of its contemporaries scored the same or lower than it.