Takahashi, Hideaki <br/><br/>
Novel quantum mechanical/molecular mechanical method combined with the theory of energy representation: free energy calculation for the Beckmann rearrangement promoted by proton transfers in the supercritical water.  [electronic resource] 

 -  The Journal of chemical physics  Feb 2007 
 - 084508 p.  digital 
<br/><br/> Publication Type: Journal Article 
<br/><br/><label>ISSN: </label>0021-9606 
<br/><br/><label>Standard No.: </label>10.1063/1.2566834  doi