BECAS
MONASCAL RODRÍGUEZ Yeljair Enrique
congresos y reuniones científicas
Título:
Transition state theory and potential energy surface: the thermal degradation of chlorocyclobutane
Autor/es:
MONASCAL, YELJAIR; BADENES, MARÍA PAULA
Reunión:
Conferencia; LatinXChem 2023; 2023
Institución organizadora:
Comité Organizador LatinXChem 2023
Resumen:
The concepts of transition state and potential energy surface (PES) are of great interest in chemical courses and often include species that are hard to determine experimentally. However, in several cases, global rate constants are experimentally available, as for chlorocyclobutane. Thus, the construction of the PES for this system and the comparison with experimental data is seen as a formative process, showing the importance of theoretical chemistry in the prediction of kinetic properties.
