Chinapong Kritayakornupong - researchr alias

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Viewing Publication 1 - 4 from 4

2010

An ::::ab initio:::: quantum mechanical charge field molecular dynamics simulation of a dilute aqueous HCl solutionChinapong Kritayakornupong, Viwat Vchirawongkwin, Bernd M. Rode. jcc, 31(8):1785-1792, 2010. [doi]

2009

Structural and dynamical properties of the V:::3+::: ion in dilute aqueous solution: An ::::ab initio:::: QM/MM molecular dynamics simulationChinapong Kritayakornupong. jcc, 30(16):2777-2783, 2009. [doi]

2008

The Jahn-Teller effect of the Cr:::2+::: ion in aqueous solution: ::::Ab initio:::: QM/MM molecular dynamics simulationsChinapong Kritayakornupong. jcc, 29(1):115-121, 2008. [doi]

2004

Structure and dynamics of the Cr(III) ion in aqueous solution: Ab initio QM/MM molecular dynamics simulationChinapong Kritayakornupong, Kristof Plankensteiner, Bernd M. Rode. jcc, 25(13):1576-1583, 2004. [doi]

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