Speaker
Mukul Dhiman
(MSME University Gustav Eiffel, Paris)
Description
In the following work I will present the spectral properties of acrolein in gas phase and in water studied using adaptive Quantum Thermal Bath (adQTB) method. In this work we show using this method we can possibly recover some of the peaks missed in simple molecular dynamics model and also the broadening of the spectrum. Though QTB and Wigner type methods give some broadening, they are not in good agreement with the experimental observations.
Authors
Etienne Mangaud
(MSME University Gustav Eiffel, Paris)
Mukul Dhiman
(MSME University Gustav Eiffel, Paris)
