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Results 1-10 of 14 (Search time: 0.0 seconds).
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Issue Date
Title
Author(s)
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
Dynamical properties of water molecules in the hydration shells of Na+ and K+ : ab initio QM/MM molecular dynamics simulations
Anan Tongraar
2004
Reseach and dynamics of hydrated ions-new insights through quantum mechanical simulation
Anan Tongraar
2004
Preferential paper:Ab initio QM/MM molecular dynamics simulation of preferential K+ solvation in aqueous ammonia solution
Anan Tongraar
2004
The hydration structures of Ca2+ in aqueous ammonia solution : Classical and combined ab initio quantum mechanical/molecular mechanical molecular dynamics simulation
Anan Tongraar
2005
Structural arrangement and dynamics of the hydrated Mg2+ : An ab initio QM/MM molecular dynamics simulation
Anan Tongraar
2005
Ab initio QM/MM dynamics of anion–water hydrogen bonds in aqueous solution
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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Date issued
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2006
4
2004
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2001
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2005
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2003
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