A study of molecular vibrational relaxation mechanism in condensed phase based upon mixed quantum-classical molecular dynamics. II. Noncollisional mechanism for the relaxation of a polar solute in supercritical water
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.1953534
Reference19 articles.
1. Vibrational lifetimes and vibrational line positions in polyatomic supercritical fluids near the critical point
2. Vibrational Lifetimes and Spectral Shifts in Supercritical Fluids as a Function of Density: Experiments and Theory
3. The role of local density in the collisional deactivation of vibrationally highly excited azulene in supercritical fluids
4. Vibrational energy relaxation of azulene in the S2 state. II. Solvent density dependence
5. What causes the vibrational lifetime plateau in supercritical fluids?
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1. A molecular dynamics study of intramolecular proton transfer reaction of malonaldehyde in solution based upon a mixed quantum–classical approximation. II. Proton transfer reaction in non-polar solvent;The Journal of Chemical Physics;2015-05-07
2. Dynamic treatment of vibrational energy relaxation in a heterogeneous and fluctuating environment;The Journal of Chemical Physics;2008-10-07
3. Vibrational Energy Relaxation of a Hydrogen-Bonded Complex Dissolved in a Polar Liquid via the Mixed Quantum−Classical Liouville Method;The Journal of Physical Chemistry B;2008-03-11
4. Solvation shell dynamics studied by molecular dynamics simulation in relation to the translational and rotational dynamics of supercritical water and benzene;The Journal of Chemical Physics;2007-11-07
5. A surface hopping method for chemical reaction dynamics in solution described by diabatic representation: An analysis of tunneling and thermal activation;The Journal of Chemical Physics;2006-03-07
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