Yu, Haoyu S <br/><br/>
Weighted Averaging Scheme and Local Atomic Descriptor for pK  [electronic resource] 

 -  Journal of chemical information and modeling  02 2018 
 - 271-286 p.  digital 
<br/><br/> Publication Type: Journal Article 
<br/><br/><label>ISSN: </label>1549-960X 
<br/><br/><label>Standard No.: </label>10.1021/acs.jcim.7b00537  doi 
<br/><br/><label>Subjects--Topical Terms: </label><br/>Density Functional Theory<br/>Models, Chemical<br/>Molecular Structure<br/>Protons<br/>Thermodynamics<br/>Workflow