| dc.contributor | Mora, José R., director | |
| dc.creator | Cervantes Velásquez, Cristian | |
| dc.date | 2019-03-13T16:59:24Z | |
| dc.date | 2019-03-13T16:59:24Z | |
| dc.date | 2018 | |
| dc.date.accessioned | 2023-08-08T20:14:31Z | |
| dc.date.available | 2023-08-08T20:14:31Z | |
| dc.identifier | Tesis (Magíster en Química), Universidad San Francisco de Quito, Colegio de Posgrados; Quito, Ecuador, 2018 | |
| dc.identifier | http://repositorio.usfq.edu.ec/handle/23000/7840 | |
| dc.identifier.uri | https://repositorioslatinoamericanos.uchile.cl/handle/2250/8066723 | |
| dc.description | The mechanism of formation of 2,5-diketopiperazine upon pyrolysis of proline at 300ºC was theoretically studied by means of DFT calculations (wB97XD/6-311g(d,p)). All transition states and minimum energy structures involved were optimized, and thermodynamic parameters were theoretically estimated... | |
| dc.description | El mecanismo de formación de 2,5-dicetopiperazina tras la pirólisis de prolina a 300ºC se estudió teóricamente mediante cálculos de DFT (wB97XD / 6-311g (d, p)). Todos los estados de transición y las estructuras de energía mínima involucradas se optimizaron, y los parámetros termodinámicos se estimaron teóricamente ... | |
| dc.format | 56 h. | |
| dc.format | application/pdf | |
| dc.language | en | |
| dc.publisher | Quito | |
| dc.rights | openAccess | |
| dc.rights | http://creativecommons.org/licenses/by-nc-sa/3.0/ec/ | |
| dc.subject | Química -- Pirólisis -- Tesis y disertaciones académicas. | |
| dc.subject | alencia (Química teórica) | |
| dc.subject | Ciencias | |
| dc.subject | Quimica | |
| dc.title | Theoretical study of the mechanism of 2,5-diketopiperazine formation during pyrolysis of proline | |
| dc.type | masterThesis | |
