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Pribil, Andreas B., Hofer, Thomas S., Vchirawongkwin, Viwat, Randolf, Bernhard R., Rode, Bernd M. (2008) Quantum mechanical simulation studies of molecular vibrations and dynamics of oxo-anions in water. Chemical Physics, 346. 182-185 doi:10.1016/j.chemphys.2008.02.045

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Reference TypeJournal (article/letter/editorial)
TitleQuantum mechanical simulation studies of molecular vibrations and dynamics of oxo-anions in water
JournalChemical Physics
AuthorsPribil, Andreas B.Author
Hofer, Thomas S.Author
Vchirawongkwin, ViwatAuthor
Randolf, Bernhard R.Author
Rode, Bernd M.Author
Year2008 (May)Volume346
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2008.02.045Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID5961524Long-form Identifiermindat:1:5:5961524:8
GUID0
Full ReferencePribil, Andreas B., Hofer, Thomas S., Vchirawongkwin, Viwat, Randolf, Bernhard R., Rode, Bernd M. (2008) Quantum mechanical simulation studies of molecular vibrations and dynamics of oxo-anions in water. Chemical Physics, 346. 182-185 doi:10.1016/j.chemphys.2008.02.045
Plain TextPribil, Andreas B., Hofer, Thomas S., Vchirawongkwin, Viwat, Randolf, Bernhard R., Rode, Bernd M. (2008) Quantum mechanical simulation studies of molecular vibrations and dynamics of oxo-anions in water. Chemical Physics, 346. 182-185 doi:10.1016/j.chemphys.2008.02.045
In(n.d.) Chemical Physics Vol. 346. Elsevier BV

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Vchirawongkwin, Viwat, Hofer, Thomas S., Randolf, Bernhard R., Rode, Bernd M. (2007) Quantum mechanical/molecular mechanical simulations of the Tl(III) ion in water. Journal of Computational Chemistry, 28 (6). 1057-1067 doi:10.1002/jcc.20486
Vchirawongkwin, Viwat, Hofer, Thomas S., Randolf, Bernhard R., Rode, Bernd M. (2007) Tl(I)-the strongest structure-breaking metal ion in water? A quantum mechanical/molecular mechanical simulation study. Journal of Computational Chemistry, 28 (6). 1006-1016 doi:10.1002/jcc.20583
Markus Blauth, C., Pribil, Andreas B., Randolf, Bernhard R., Rode, Bernd M., Hofer, Thomas S. (2010) Structure and dynamics of hydrated Ag+: An ab initio quantum mechanical/charge field simulation. Chemical Physics Letters, 500. 251-255 doi:10.1016/j.cplett.2010.10.008
Hofer, Thomas S., Randolf, Bernhard R., Rode, Bernd M. (2008) The hydration of the mercury(I)-dimer – A quantum mechanical charge field molecular dynamics study. Chemical Physics, 349. 210-218 doi:10.1016/j.chemphys.2007.12.013
Moin, Syed Tarique, Hofer, Thomas S., Pribil, Andreas B., Randolf, Bernhard R., Rode, Bernd M. (2010) A Quantum Mechanical Charge Field Molecular Dynamics Study of Fe2+and Fe3+Ions in Aqueous Solutions. Inorganic Chemistry, 49 (11) 5101-5106 doi:10.1021/ic1002572
Frick, Robert J., Pribil, Andreas B., Hofer, Thomas S., Randolf, Bernhard R., Bhattacharjee, Anirban, Rode, Bernd M. (2009) Structure and Dynamics of the U4+Ion in Aqueous Solution: An ab Initio Quantum Mechanical Charge Field Molecular Dynamics Study. Inorganic Chemistry, 48 (9) 3993-4002 doi:10.1021/ic801554p
Bhattacharjee, Anirban, Hofer, Thomas S., Pribil, Andreas B., Randolf, Bernhard R., Rode, Bernd M. (2009) Hydrolysis of As(III): A femtosecond process. Chemical Physics Letters, 473. 176-178 doi:10.1016/j.cplett.2009.03.011
Hofer, Thomas S., Rode, Bernd M., Pribil, Andreas B., Randolf, Bernhard R. (2010) Simulations of Liquids and Solutions Based on Quantum Mechanical Forces. In Advances in Inorganic Chemistry. Elsevier. p.143-175. doi:10.1016/s0898-8838(10)62004-1
Pribil, Andreas B., Hofer, Thomas S., Randolf, Bernhard R., Rode, Bernd M. (2008) Structure and dynamics of phosphate ion in aqueous solution: Anab initioQMCF MD study. Journal of Computational Chemistry, 29 (14). 2330-2334 doi:10.1002/jcc.20968
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
Bene, Gabriel E., Hofer, Thomas S., Randolf, Bernhard R., Rode, Bernd M. (2012) Simulation of electronic excitation in the liquid state by quantum mechanical charge field molecular dynamics. Chemical Physics Letters, 521. 74-77 doi:10.1016/j.cplett.2011.11.066
 
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