Kast, Stefan M <br/><br/>
Prediction of tautomer ratios by embedded-cluster integral equation theory.  [electronic resource] 

 -  Journal of computer-aided molecular design  Apr 2010 
 - 343-53 p.  digital 
<br/><br/> Publication Type: Journal Article; Research Support, Non-U.S. Gov't 
<br/><br/><label>ISSN: </label>1573-4951 
<br/><br/><label>Standard No.: </label>10.1007/s10822-010-9340-x  doi 
<br/><br/><label>Subjects--Topical Terms: </label><br/>Cluster Analysis<br/>Computer Simulation<br/>Isomerism<br/>Models, Chemical<br/>Quantum Theory<br/>Solubility<br/>Solutions--chemistry<br/>Thermodynamics