High energy vibrational excitations of nitromethane in liquid water

The pathways and timescales of vibrational energy flow in nitromethane are investigated in both gas and condensed phases using classical molecular mechanics, with a particular focus on relaxation in liquid water. We monitor the flow of excess energy deposited in vibrational modes of nitromethane int...

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Veröffentlicht in:	The Journal of chemical physics 2023-05, Vol.158 (19)
Hauptverfasser:	Jurado Romero, Arnau, Calero, Carles, Sibert, Edwin L., Rey, Rossend
Format:	Artikel
Sprache:	eng
Schlagworte:	Anisotropy Argon Energy flow Libration Nitromethane Solvents Vibration mode Water Water chemistry
Online-Zugang:	Volltext
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