Plotnikov, Nikolay V <br/><br/>
Quantifying the mechanism of phosphate monoester hydrolysis in aqueous solution by evaluating the relevant ab initio QM/MM free-energy surfaces.  [electronic resource] 

 -  The journal of physical chemistry. B  Oct 2013 
 - 12807-19 p.  digital 
<br/><br/> Publication Type: Journal Article; Research Support, N.I.H., Extramural; Research Support, U.S. Gov't, Non-P.H.S. 
<br/><br/><label>ISSN: </label>1520-5207 
<br/><br/><label>Standard No.: </label>10.1021/jp4020146  doi 
<br/><br/><label>Subjects--Topical Terms: </label><br/>Esters<br/>Hydrolysis<br/>Ions--chemistry<br/>Kinetics<br/>Magnesium--chemistry<br/>Models, Molecular<br/>Phosphates--chemistry<br/>Quantum Theory<br/>Solutions--chemistry<br/>Surface Properties<br/>Thermodynamics<br/>Water--chemistry