Estimation of the pKa values of water ligands in transition metal complexes using density functional theory with polarized continuum model solvent corrections-Reference-Cited by-同舟云学术

Estimation of the pKa values of water ligands in transition metal complexes using density functional theory with polarized continuum model solvent corrections

Published:2009 Issue:46 Volume: Page:10223
ISSN:1477-9226
Container-title:Dalton Transactions
language:en
Short-container-title:Dalton Trans.

Author:

Gilson Ronan,Durrant Marcus C.

Publisher

Royal Society of Chemistry (RSC)

Subject

Inorganic Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2009/DT/B911593E

Reference47 articles.

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3. Mechanism of photosynthetic water oxidation: combining biophysical studies of photosystem II with inorganic model chemistry

4. First Hydrolysis Constants of Hexaaquacobalt(III) and -manganese(III): Longstanding Issues Resolved

5. New developments in the polarizable continuum model for quantum mechanical and classical calculations on molecules in solution

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