Sit, Patrick H-L <br/><br/>
Simple, unambiguous theoretical approach to oxidation state determination via first-principles calculations.  [electronic resource] 

 -  Inorganic chemistry  Oct 2011 
 - 10259-67 p.  digital 
<br/><br/> Publication Type: Journal Article; Research Support, U.S. Gov't, Non-P.H.S. 
<br/><br/><label>ISSN: </label>1520-510X 
<br/><br/><label>Standard No.: </label>10.1021/ic2013107  doi 
<br/><br/><label>Subjects--Topical Terms: </label><br/>Ligands<br/>Models, Chemical<br/>Oxidation-Reduction<br/>Quantum Theory<br/>Transition Elements--chemistry