Rong, Chunying <br/><br/>
Dissecting molecular descriptors into atomic contributions in density functional reactivity theory.  [electronic resource] 

 -  The Journal of chemical physics  Jan 2014 
 - 024109 p.  digital 
<br/><br/> Publication Type: Journal Article; Research Support, Non-U.S. Gov't 
<br/><br/><label>ISSN: </label>1089-7690 
<br/><br/><label>Standard No.: </label>10.1063/1.4860969  doi 
<br/><br/><label>Subjects--Topical Terms: </label><br/>Algorithms<br/>Benzene--chemistry<br/>Entropy<br/>Hydrocarbons--chemistry<br/>Quantum Theory