Browsing by Author Anan Tongraar

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Showing results 1 to 15 of 15
Issue DateTitleAuthor(s)
2005Ab initio QM/MM dynamics of anion–water hydrogen bonds in aqueous solutionAnan Tongraar
2006Ab initio QM/MM dynamics of H3O+ in waterPathumwadee Intharathep; Anan Tongraar; Kritsana Sagarik
2003Ab initio QM/MM molecular dynamics simulation of preferential K+ solvation in aqueous ammonia solutionAnan Tongraar
2006A Combined QM/MM Molecular Dynamics Simulations Study of Nitrate Anion (NO3) Aqueous SolutionAnan Tongraar
2006A combined QM/MM molecular dynamics simulations study of nitrate anion (NO3) in aqueous solutionAnan Tongraar; Piyawan Tangkawanwanit; Rode Bernd Michael
2004Dynamical properties of water molecules in the hydration shells of Na+ and K+ : ab initio QM/MM molecular dynamics simulationsAnan Tongraar
2001Effects of many-body interactions on the preferential solvation of Mg2+ in aqueous ammonia solution: A born -appenheimer ab initio QM/MM dynamics study.Anan Tongraar
2004The hydration structures of Ca2+ in aqueous ammonia solution : Classical and combined ab initio quantum mechanical/molecular mechanical molecular dynamics simulationAnan Tongraar
2004Preferential paper:Ab initio QM/MM molecular dynamics simulation of preferential K+ solvation in aqueous ammonia solutionAnan Tongraar
1999Preferential solvation of Li+ in 18.45% aqueous ammonia : A born-oppenheimer ab initio quantum mechanics/molecular mechanics MD simulation.Anan Tongraar
2004Reseach and dynamics of hydrated ions-new insights through quantum mechanical simulationAnan Tongraar
2001The role of non-additive contributions on the hydration shell structure of Mg2+ studied by Born-Oppenheimer ab initio guantum mechanical-molecular mechanical molecular dynamics simulationAnan Tongraar
2006Simulations of Liquid Ammonia Based on the Combined Quantum Mechanical/MolecularAnan Tongraar
2006Simulations of liquid ammonia based on the combined quantum mechanical/molecular mechanical (QM/MM) approachAnan Tongraar; Teerakiat Kerdcharoen; Supot Hannongbua
2005Structural arrangement and dynamics of the hydrated Mg2+ : An ab initio QM/MM molecular dynamics simulationAnan Tongraar