| Title |
Size extensivity of elastic properties of alkane fragments
|
|---|---|
| Published in |
Journal of Molecular Modeling, January 2018
|
| DOI | 10.1007/s00894-017-3572-9 |
| Pubmed ID | |
| Authors |
Milad Radiom, Plinio Maroni, Tomasz A. Wesolowski |
| Abstract |
Using MP2, CCSD, and B3LYP methods of computational chemistry, we show length dependence in the intrinsic elastic properties of short alkane fragments. For isolated alkane fragments of finite length in the gas phase and zero temperature, the intrinsic elasticity constants are found to vary with the number of carbon atoms and its parity. From extrapolation of the elasticity constants calculations to infinite chain length, and by comparing with in-situ elasticity constant of single poly(ethylene) molecule obtained with atomic force microscopy, we estimate the softening effect of environment on the extension response of the polymer. |
X Demographics
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Geographical breakdown
| Country | Count | As % |
|---|---|---|
| Switzerland | 2 | 100% |
Demographic breakdown
| Type | Count | As % |
|---|---|---|
| Members of the public | 2 | 100% |
Mendeley readers
The data shown below were compiled from readership statistics for 8 Mendeley readers of this research output. Click here to see the associated Mendeley record.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| Unknown | 8 | 100% |
Demographic breakdown
| Readers by professional status | Count | As % |
|---|---|---|
| Student > Master | 3 | 38% |
| Student > Ph. D. Student | 1 | 13% |
| Student > Doctoral Student | 1 | 13% |
| Researcher | 1 | 13% |
| Unknown | 2 | 25% |
| Readers by discipline | Count | As % |
|---|---|---|
| Chemistry | 3 | 38% |
| Sports and Recreations | 1 | 13% |
| Materials Science | 1 | 13% |
| Physics and Astronomy | 1 | 13% |
| Unknown | 2 | 25% |
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 31 January 2018.
All research outputs
#15,489,831
of 23,018,998 outputs
Outputs from Journal of Molecular Modeling
#414
of 822 outputs
Outputs of similar age
#270,254
of 442,250 outputs
Outputs of similar age from Journal of Molecular Modeling
#5
of 14 outputs
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