Molecular reaction dynamics (branch of physical chemistry that deals with observing and understang chemical reactions in real time and on an atomistic basis)
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Available identifiers
Although there were first attempts in the 1930s (first trajectory calculations for H+H2 reaction calculated by Polanyi in Berlin-Dahlem), this field has strongy evolved since the 1970s and 1980s with the upcoming of short laser pulses.
Mathematical models
classical dynamics model, quantum model (closed system), mixed quantum-classical dynamics, quantum model (open system)
Related URL
https://www.nobelprize.org/prizes/chemistry/1999/summary
https://www.nobelprize.org/prizes/physics/2023/summary
Further links
| Item | Property |
|---|---|
| molecular dynamics simulation | specialized by |
| molecular physics | contains |
| physical chemistry | contains |
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