Hydrated hydronium: a cluster model of the solvated electron?
Abstract
Ab initio
(ROHF, CASSCF, CASPT2) and DFT/B3LYP calculations have been performed for the electronic ground state and the lowest excited singlet states of the
* Corresponding authors
a Institute of Physics, Polish Academy of Sciences, Poland
b
Institute of Physical and Theoretical Chemistry, Technical University of Munich, D-85747 Garching, Germany
E-mail:
domcke.ch.tum.de
Ab initio
(ROHF, CASSCF, CASPT2) and DFT/B3LYP calculations have been performed for the electronic ground state and the lowest excited singlet states of the
A. L. Sobolewski and W. Domcke, Phys. Chem. Chem. Phys., 2002, 4, 4 DOI: 10.1039/B107373G
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