A reaction energy profile and fragment attributed molecular system energy change (FAMSEC)-based protocol designed to uncover reaction mechanisms : a case study of the proline-catalysed aldol reaction
- UPSpace Home
- →
- Natural and Agricultural Sciences
- →
- Chemistry
- →
- Research Articles (Chemistry)
- →
- View Item
JavaScript is disabled for your browser. Some features of this site may not work without it.
We are excited to announce that the repository will soon undergo an upgrade, featuring a new look and feel along with several enhanced features to improve your experience. Please be on the lookout for further updates and announcements regarding the launch date. We appreciate your support and look forward to unveiling the improved platform soon.
| dc.contributor.author | Cukrowski, Ignacy
|
|
| dc.contributor.author | Dhimba, George
|
|
| dc.contributor.author | Riley, Darren Lyall
|
|
| dc.date.accessioned | 2019-10-04T11:23:29Z | |
| dc.date.available | 2019-10-04T11:23:29Z | |
| dc.date.issued | 2019-07 | |
| dc.description.abstract | Please read abstract in the article. | en_ZA |
| dc.description.department | Chemistry | en_ZA |
| dc.description.librarian | hj2019 | en_ZA |
| dc.description.sponsorship | The National Research Foundation of South Africa, Grant Number 105855. | en_ZA |
| dc.description.uri | http://www.rsc.org/journals-books-databases/about-journals/PCCP | en_ZA |
| dc.identifier.citation | Cukrowski, I., Dhimba, G. & Riley, D.L. 2019, 'A reaction energy profile and fragment attributed molecular system energy change (FAMSEC)-based protocol designed to uncover reaction mechanisms : a case study of the proline-catalysed aldol reaction', Physical Chemistry Chemical Physics, vol. 21, no. 30, pp. 16694-16705. | en_ZA |
| dc.identifier.issn | 1463-9076 (print) | |
| dc.identifier.issn | 1463-9084 (online) | |
| dc.identifier.other | 10.1039/C9CP03046H | |
| dc.identifier.uri | http://hdl.handle.net/2263/71575 | |
| dc.language.iso | en | en_ZA |
| dc.publisher | Royal Society of Chemistry | en_ZA |
| dc.rights | © the Owner Societies 2019 | en_ZA |
| dc.subject | Reaction mechanism | en_ZA |
| dc.subject | Ab initio calculations | en_ZA |
| dc.subject | Proline catalysed aldol reaction | en_ZA |
| dc.subject | Computational chemistry | en_ZA |
| dc.subject | Fragment attributed molecular system energy change (FAMSEC) | en_ZA |
| dc.title | A reaction energy profile and fragment attributed molecular system energy change (FAMSEC)-based protocol designed to uncover reaction mechanisms : a case study of the proline-catalysed aldol reaction | en_ZA |
| dc.type | Postprint Article | en_ZA |
