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Kritayakornupong, Chinapong, Plankensteiner, Kristof, Rode, Bernd M. (2003) Structural and dynamical properties of Co(III) in aqueous solution: Ab initio quantum mechanical/molecular mechanical molecular dynamics simulation. The Journal of Chemical Physics, 119 (12). 6068-6072 doi:10.1063/1.1601606

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Reference TypeJournal (article/letter/editorial)
TitleStructural and dynamical properties of Co(III) in aqueous solution: Ab initio quantum mechanical/molecular mechanical molecular dynamics simulation
JournalThe Journal of Chemical Physics
AuthorsKritayakornupong, ChinapongAuthor
Plankensteiner, KristofAuthor
Rode, Bernd M.Author
Year2003 (September 22)Volume119
Issue12
PublisherAIP Publishing
DOIdoi:10.1063/1.1601606Search in ResearchGate
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Mindat Ref. ID2279076Long-form Identifiermindat:1:5:2279076:5
GUID0
Full ReferenceKritayakornupong, Chinapong, Plankensteiner, Kristof, Rode, Bernd M. (2003) Structural and dynamical properties of Co(III) in aqueous solution: Ab initio quantum mechanical/molecular mechanical molecular dynamics simulation. The Journal of Chemical Physics, 119 (12). 6068-6072 doi:10.1063/1.1601606
Plain TextKritayakornupong, Chinapong, Plankensteiner, Kristof, Rode, Bernd M. (2003) Structural and dynamical properties of Co(III) in aqueous solution: Ab initio quantum mechanical/molecular mechanical molecular dynamics simulation. The Journal of Chemical Physics, 119 (12). 6068-6072 doi:10.1063/1.1601606
In(2003, September) The Journal of Chemical Physics Vol. 119 (12) AIP Publishing

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Kritayakornupong, Chinapong, Plankensteiner, Kristof, Rode, Bernd M. (2003) Structure and Dynamics of the Cd2+Ion in Aqueous Solution:  Ab Initio QM/MM Molecular Dynamics Simulation. The Journal of Physical Chemistry A, 107 (48). 10330-10334 doi:10.1021/jp0354548
Kritayakornupong, Chinapong, Vchirawongkwin, Viwat, Hofer, Thomas S., Rode, Bernd M. (2008) Structural and Dynamical Properties of Hydrogen Fluoride in Aqueous Solution: An ab Initio Quantum Mechanical Charge Field Molecular Dynamics Simulation. The Journal of Physical Chemistry B, 112 (38). 12032-12037 doi:10.1021/jp805321c
Kritayakornupong, Chinapong, Plankensteiner, Kristof, Rode, Bernd M. (2004) Structure and dynamics of the Cr(III) ion in aqueous solution:Ab initio QM/MM molecular dynamics simulation. Journal of Computational Chemistry, 25 (13). 1576-1583 doi:10.1002/jcc.20085
Kritayakornupong, Chinapong, Plankensteiner, Kristof, Rode, Bernd M (2003) Dynamics in the hydration shell of Hg2+ ion: classical and ab initio QM/MM molecular dynamics simulations. Chemical Physics Letters, 371. 438-444 doi:10.1016/s0009-2614(03)00301-4
Kritayakornupong, Chinapong (2008) The Jahn-Teller effect of the Ag2+ ion in aqueous solution: A hybrid ab initio quantum mechanical/molecular mechanical molecular dynamics simulation. Chemical Physics Letters, 455. 207-212 doi:10.1016/j.cplett.2008.02.103
Kritayakornupong, Chinapong, Rode, Bernd M. (2003) Molecular dynamics simulations of Hg2+ in aqueous solution includingN-body effects. The Journal of Chemical Physics, 118 (11). 5065-5070 doi:10.1063/1.1553761
Vchirawongkwin, Viwat, Kritayakornupong, Chinapong, Tongraar, Anan, Rode, Bernd M. (2012) Characterization of structure and dynamics of an aqueous scandium(iii) ion by an extended ab initio QM/MM molecular dynamics simulation. Dalton Transactions, 41 (38). 11889pp. doi:10.1039/c2dt31117h
Vchirawongkwin, Viwat, Kritayakornupong, Chinapong, Tongraar, Anan, Rode, Bernd M. (2011) Symmetry Breaking and Hydration Structure of Carbonate and Nitrate in Aqueous Solutions: A Study by Ab Initio Quantum Mechanical Charge Field Molecular Dynamics. The Journal of Physical Chemistry B, 115 (43). 12527-12536 doi:10.1021/jp204809f
Hofer, Thomas S., Rode, Bernd M. (2004) The solvation structure of Pb(II) in dilute aqueous solution: An ab initio quantum mechanical/molecular mechanical molecular dynamics approach. The Journal of Chemical Physics, 121 (13). 6406-6411 doi:10.1063/1.1785781
Passler, Peter P., Rode, Bernd M. (2015) Thulium(III) and ytterbium(III) in aqueous solution ab initio quantum mechanical charge field molecular dynamics studies. Chemical Physics Letters, 638. 128-132 doi:10.1016/j.cplett.2015.08.041
Vchirawongkwin, Viwat, Kritayakornupong, Chinapong, Rode, Bernd M. (2010) Structural and Dynamical Properties and Vibrational Spectra of Bisulfate Ion in Water: A Study byAb InitioQuantum Mechanical Charge Field Molecular Dynamics. The Journal of Physical Chemistry B, 114 (35). 11561-11569 doi:10.1021/jp105181n
 
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