Solvation and reorganization energies in polarizable molecular and continuum solvents

Bader, Joel S.; Cortis, Christian M.
February 1997
Journal of Chemical Physics;2/8/1997, Vol. 106 Issue 6, p2372
Academic Journal
Investigates the solvation free energy difference and reoganization energy of the electronic transition between the ground and first excited state of formaldehyde as a function of the solvent electronic polarizability in aqueous solution. Definition of the size of the molecular cavity for both the ground and excited state molecule.


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