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- W306311561 abstract "Abstract : The objective of this research was to improve understanding at a fundamental level of chemical processes leading to the formation of electronically excited products (nonadiabatic processes). The quasi-classical trajectory (QCT) method was used in order to map out various types of nonadiabatic dynamics, and to correlate these types of behaviour with the interaction potentials that give rise to them. Three dimensional trajectory surface hopping (TSH) was applied to pairs of potential energy surfaces that interacted along a seam in the exit valley (i.e. as products separated). This report summarizes the molecular dynamics of exoergic chemical reactions that yield products in both ground and electronically excited states." @default.
- W306311561 created "2016-06-24" @default.
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- W306311561 date "1985-12-22" @default.
- W306311561 modified "2023-09-26" @default.
- W306311561 title "Molecular Dynamics of Reactions Forming Electronically Excited Products." @default.
- W306311561 doi "https://doi.org/10.21236/ada166168" @default.
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