Showing results 1 to 7 of 7
Title | Author(s) | Issue Date | |
---|---|---|---|
Ab initio quantum mechanical/molecular mechanical simulation of electron transfer process: Fractional electron approach Journal:Journal of Chemical Physics | 2008 | ||
2010 | |||
Calculating solution redox free energies with ab initio quantum mechanical/molecular mechanical minimum free energy path method Journal:Journal of Chemical Physics | 2009 | ||
Direct trapping of acrylamide as a key mechanism for niacin's inhibitory activity in carcinogenic acrylamide formation Journal:Chemical Research in Toxicology | 2010 | ||
Equilibrium sampling for biomolecules under mechanical tension Journal:Biophysical Journal | 2010 | ||
Inhibitory mechanism of naringenin against carcinogenic acrylamide formation and nonenzymatic browning in maillard model reactions Journal:Chemical Research in Toxicology | 2009 | ||
Liquid water simulations with the density fragment interaction approach Journal:Physical Chemistry Chemical Physics | 2012 |