Miryang National University / California Institute of Technology / Seoul National UniVersity / /
IndustryTerm
active site / damage products / free energy change / sulfoxide solution / gas phase state / exocyclic amino / free energy / unknown systems / gas phase free energy / solvation free energy calculation / calculated solvation free energy / gas phase proton affinity / solvation free energy / gas phase basicities / aqueous solution / energy difference / polar media / solution phase free energy / gas phase standard state / gas-phase value/solution-phase value / low-energy tautomers / energy / calculated gas / zero-point energy / energy cost / rotational free energy contribution / gas approximation / gas constant / gas-phase structure / nonaqueous media / proton solvation free energy / solvation energy / mol gas / nonpolar solvation free energy / gas phase dipole moments / gas phase structures / kcal/mol free energy / gas phase / solvation energy value / final standard free energy / gas phase guanine / gas phase calculation / /
Organization
California Institute of Technology / Doo Soo Chung* / ‡ Materials and Process Simulation Center / Department of Biochemistry and Microbiology / School of Chemistry / Miryang National University / Seoul National UniVersity / Seoul / Division of Food Science and Environmental Engineering / Loma Linda UniVersity School of Medicine / /
Person
Yun Hee Jang / Katherine T. Noyes / § Lawrence / Soo Chung / William A. Goddard III / Lawrence C. Sowers / § Sungu / / /
Position
G2 RT / RT / Poisson-Boltzmann Continuum-Solvation Model / G1 RT / Major / Representative / /
344 J. Phys. Chem. B 2003, 107, pKa Values of Guanine in Water: Density Functional Theory Calculations Combined with Poisson-Boltzmann Continuum-Solvation Model