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Suranaree University of Technology
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Issue Date
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Author(s)
2006
Ab initio QM/MM dynamics of H3O+ in water
Pathumwadee Intharathep
;
Anan Tongraar
;
Kritsana Sagarik
2004
Quantum - mechanical bases simulation of an ammonium ion in aqueous solution
Pathumwadee Intharathep
2005
Structure and dynamics of hydrated NH+4: an ab initio QM/MM molecular dynamics simulation
Pathumwadee Intharathep
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Author
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Anan Tongraar
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Kritsana Sagarik
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ab initio QM/MM molecular
1
ammonium ion
1
aqueous solution
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eigen
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H3O+
1
hydrated NH+4
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molecular dynamics simulation
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proton transfer
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QM/MM
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Quantum - mechanical bases
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