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physics.chem-ph2023★ 1 cited
A theory of chemical Reactions in biomolecules in solution: generalized Langevin mode analysis (GLMA)
Fumio Hirata
The generalized Langevin mode analysis (GLMA) is applied to chemical reactions in biomolecules in solution. The theory sees a chemical reaction in solution as a barrier crossing pr…
physics.chem-ph2005★ 11 cited
Pressure dependence of diffusion coefficient and orientational relaxation time for acetonitrile and methanol in water: DRISM/mode-coupling study
A. E. Kobryn, T. Yamaguchi, F. Hirata
We present results of theoretical description and numerical calculation of the dynamics of molecular liquids based on the Reference Interaction Site Model / Mode-Coupling Theory. T…