| Title |
Theoretical rate constant of methane oxidation from the conventional transition-state theory
|
|---|---|
| Published in |
Journal of Molecular Modeling, September 2018
|
| DOI | 10.1007/s00894-018-3829-y |
| Pubmed ID | |
| Authors |
Claudia Aranda, Arlette Richaud, Francisco Méndez, Armando Domínguez |
| Abstract |
The potential energy surface for the first step of the methane oxidation CH4 + O2➔CH3 + HO2 was studied using the London-Eyring-Polanyi-Sato equation (LEPS) and the conventional transition-state theory (CTST). The calculated activation energy and rate constant values were in good agreement with the experimental and theoretical values reported in the literature using the shock tube technique and coupled cluster method respectively. The rate equation from CTST, although simple, provides good results to study the H-shift between methane and the oxygen molecules. |
X Demographics
The data shown below were collected from the profiles of 2 X users who shared this research output. Click here to find out more about how the information was compiled.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| United Kingdom | 1 | 50% |
| Unknown | 1 | 50% |
Demographic breakdown
| Type | Count | As % |
|---|---|---|
| Scientists | 1 | 50% |
| Members of the public | 1 | 50% |
Mendeley readers
The data shown below were compiled from readership statistics for 4 Mendeley readers of this research output. Click here to see the associated Mendeley record.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| Unknown | 4 | 100% |
Demographic breakdown
| Readers by professional status | Count | As % |
|---|---|---|
| Researcher | 1 | 25% |
| Student > Master | 1 | 25% |
| Unknown | 2 | 50% |
| Readers by discipline | Count | As % |
|---|---|---|
| Chemistry | 2 | 50% |
| Unknown | 2 | 50% |
Attention Score in Context
This research output has an Altmetric Attention Score of 2. 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 01 October 2018.
All research outputs
#14,425,486
of 23,105,443 outputs
Outputs from Journal of Molecular Modeling
#379
of 827 outputs
Outputs of similar age
#190,109
of 341,066 outputs
Outputs of similar age from Journal of Molecular Modeling
#8
of 23 outputs
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So far Altmetric has tracked 827 research outputs from this source. They receive a mean Attention Score of 2.7. This one has gotten more attention than average, scoring higher than 53% of its peers.
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We're also able to compare this research output to 23 others from the same source and published within six weeks on either side of this one. This one has gotten more attention than average, scoring higher than 65% of its contemporaries.