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Mendeley readers
| Title |
Understanding the decomposition reaction mechanism of chrysanthemic acid: a computational study
|
|---|---|
| Published in |
BMC Chemistry, October 2011
|
| DOI | 10.1186/1752-153x-5-66 |
| Pubmed ID | |
| Authors |
Shabaan AK Elroby, Saadullah G Aziz |
| Abstract |
Chrysanthemic acid (CHA) is a major product from the photodecomposition of pyrethrin which is an important class of pesticide compounds.In the following paper, Hybrid density functional theory (DFT) calculations of the potential energy surface (PES) for three possible channels decomposition of chrysanthemic acid (cis-trans isomerization, rearrangement and fragmentation) have been carried at the B3LYP/6-311+G** level of theory. DFT was employed to optimize the geometry parameters of the reactants, transition states, intermediates and products based on detailed potential energy surfaces (PES). |
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 9 Mendeley readers of this research output. Click here to see the associated Mendeley record.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| Unknown | 9 | 100% |
Demographic breakdown
| Readers by professional status | Count | As % |
|---|---|---|
| Researcher | 4 | 44% |
| Student > Doctoral Student | 1 | 11% |
| Student > Ph. D. Student | 1 | 11% |
| Professor | 1 | 11% |
| Student > Master | 1 | 11% |
| Other | 1 | 11% |
| Readers by discipline | Count | As % |
|---|---|---|
| Chemistry | 6 | 67% |
| Business, Management and Accounting | 1 | 11% |
| Social Sciences | 1 | 11% |
| Agricultural and Biological Sciences | 1 | 11% |