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Suranaree University of Technology
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Issue Date
Title
Author(s)
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
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
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Author
3
Anan Tongraar
1
Kritsana Sagarik
1
Pathumwadee Intharathep
Subject
1
ammonia solution
1
aqueous
1
dynamical
1
dynamics simulations
1
eigen
1
H3O+
1
preferential solvation
1
proton transfer
1
water molecules
1
zundel
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2001
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2006
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