TITLE

Solvation and reorganization energies in polarizable molecular and continuum solvents

AUTHOR(S)
Bader, Joel S.; Cortis, Christian M.
PUB. DATE
February 1997
SOURCE
Journal of Chemical Physics;2/8/1997, Vol. 106 Issue 6, p2372
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
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.
ACCESSION #
4163244

 

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