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Issue Date
Title
Author(s)
2006
Simulations of liquid ammonia based on the combined quantum mechanical/molecular mechanical (QM/MM) approach
Anan Tongraar
;
Teerakiat Kerdcharoen
;
Supot Hannongbua
2006
A combined QM/MM molecular dynamics simulations study of nitrate anion (NO3) in aqueous solution
Anan Tongraar
;
Piyawan Tangkawanwanit
;
Rode Bernd Michael
2006
Ab initio QM/MM dynamics of H3O+ in water
Pathumwadee Intharathep
;
Anan Tongraar
;
Kritsana Sagarik
2004
Dynamical properties of water molecules in the hydration shells of Na+ and K+ : ab initio QM/MM molecular dynamics simulations
Anan Tongraar
1999
Preferential solvation of Li+ in 18.45% aqueous ammonia : A born-oppenheimer ab initio quantum mechanics/molecular mechanics MD simulation.
Anan Tongraar
2001
Effects 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
2001
The role of non-additive contributions on the hydration shell structure of Mg2+ studied by Born-Oppenheimer ab initio guantum mechanical-molecular mechanical molecular dynamics simulation
Anan Tongraar
2003
Ab initio QM/MM molecular dynamics simulation of preferential K+ solvation in aqueous ammonia solution
Anan Tongraar
2006
Simulations of Liquid Ammonia Based on the Combined Quantum Mechanical/Molecular
Anan Tongraar
2004
Reseach and dynamics of hydrated ions-new insights through quantum mechanical simulation
Anan Tongraar
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Author
1
Kritsana Sagarik
1
Pathumwadee Intharathep
1
Piyawan Tangkawanwanit
1
Rode Bernd Michael
1
Supot Hannongbua
1
Teerakiat Kerdcharoen
Subject
3
QM/MM
2
ammonia solution
2
molecular dynamics
2
simulation
2
Simulations
1
ab initio QM/MM
1
Ab initio QM/MM dynamics
1
anion–water hydrogen bonds
1
aqueous
1
aqueous solution
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2006
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