Browsing Chemistry by Author "Goel, Prateek"
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First Principles Simulations of Vibrationally Resolved Photodetachment Spectra of Select Biradicals
Goel, Prateek (University of Waterloo, 2012-09-10)Nonadiabatic dynamical processes are ubiquitous in chemistry and biology. Such events are directly connected to the treatment of energetically close lying states which gives rise to strong vibronic interactions in which ... -
Static and Dynamic Theoretical Studies on Vibronic Model Based Potential Energy Surface(s): Locating Transition Structures and Fundamental Investigations in Time-resolved Spectroscopy
Goel, Prateek (University of Waterloo, 2017-10-05)Construction and exploration of Potential Energy Surfaces (PES) is central to the study of many interesting chemical phenomena, such as computing the rate of a chemical reaction or elucidating structure of a complex ...