Anan Tongraar

发表

Structure and dynamics of hydrated NH 4+ : An ab initio QM/MM molecular dynamics simulation

Kritsana Sagarik, Pathumwadee Intharathep, Anan Tongraar, 2005, J. Comput. Chem..

Ab initio QM/MM dynamics of H3O+ in water

Kritsana Sagarik, Pathumwadee Intharathep, Anan Tongraar, 2006, J. Comput. Chem..

Dynamical properties of water molecules in the hydration shells of Na+ and K+: ab initio QM/MM molecular dynamics simulations

Bernd M. Rode, Anan Tongraar, B. Rode, 2004 .

BORN-OPPENHEIMER AB INITIO QM/MM DYNAMICS SIMULATIONS OF NA+ AND K+ IN WATER : FROM STRUCTURE MAKING TO STRUCTURE BREAKING EFFECTS

Klaus R. Liedl, Bernd M. Rode, Anan Tongraar, 1998 .

Hydration structure and dynamics of K+ and Ca2+ in aqueous solution: Comparison of conventional QM/MM and ONIOM-XS MD simulations

Teerakiat Kerdcharoen, Anan Tongraar, T. Kerdcharoen, 2011 .

Structure and dynamics of hydrated ions—new insights through quantum mechanical simulations

Bernd M. Rode, Christian F. Schwenk, Anan Tongraar, 2003 .

Solvation of Ca2+ in Water Studied by Born−Oppenheimer ab Initio QM/MM Dynamics

Klaus R. Liedl, Bernd M. Rode, Anan Tongraar, 1997 .

Effects of Many-Body Interactions on the Preferential Solvation of Mg2+ in Aqueous Ammonia Solution: A Born−Oppenheimer ab Initio QM/MM Dynamics Study

Bernd M. Rode, Anan Tongraar, and Kritsana Sagarik, 2001 .

Ab initio QM/MM molecular dynamics simulation of preferential K+ solvation in aqueous ammonia solution

Bernd M. Rode, Anan Tongraar, B. Rode, 2004 .

Ab initio QM/MM dynamics of anion–water hydrogen bonds in aqueous solution

Bernd M. Rode, Anan Tongraar, B. Rode, 2005 .

Preferential solvation of Ca2+ in aqueous ammonia solution: Classical and combined ab initio quantum mechanical/molecular mechanical molecular dynamics simulations

Bernd M. Rode, Kritsana Sagarik, Anan Tongraar, 2002 .