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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

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Reference TypeJournal (article/letter/editorial)
TitleStructure and dynamics of phosphate ion in aqueous solution: Anab initioQMCF MD study
JournalJournal of Computational Chemistry
AuthorsPribil, Andreas B.Author
Hofer, Thomas S.Author
Randolf, Bernhard R.Author
Rode, Bernd M.Author
Year2008 (November 15)Volume29
Issue14
PublisherWiley
DOIdoi:10.1002/jcc.20968Search in ResearchGate
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Mindat Ref. ID3149136Long-form Identifiermindat:1:5:3149136:1
GUID0
Full ReferencePribil, 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
Plain TextPribil, 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
In(2008, November) Journal of Computational Chemistry Vol. 29 (14) Wiley

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Frick, Robert J., Hofer, Thomas S., Pribil, Andreas B., Randolf, Bernhard R., Rode, Bernd M. (2009) Structure and Dynamics of the UO22+Ion in Aqueous Solution: An Ab Initio QMCF MD Study†. The Journal of Physical Chemistry A, 113 (45). 12496-12503 doi:10.1021/jp903750r
Bhattacharjee, Anirban, Pribil, Andreas B., Lim, Len Herald V., Hofer, Thomas S., Randolf, Bernhard R., Rode, Bernd M. (2010) Structural and Dynamic Aspects of Hydration of HAsO4−2: Anab initioQMCF MD Simulation. The Journal of Physical Chemistry B, 114 (11). 3921-3926 doi:10.1021/jp911860y
Hofer, Thomas S., Randolf, Bernhard R., Rode, Bernd M. (2005) Structure-breaking effects of solvated Rb(I) in dilute aqueous solution—Anab initio QM/MM MD approach. Journal of Computational Chemistry, 26 (9). 949-956 doi:10.1002/jcc.20232
Hinteregger, Ernst, Pribil, Andreas B., Hofer, Thomas S., Randolf, Bernhard R., Weiss, Alexander K. H., Rode, Bernd M. (2010) Structure and Dynamics of the Chromate Ion in Aqueous Solution. An ab Initio QMCF-MD Simulation. Inorganic Chemistry, 49 (17) 7964-7968 doi:10.1021/ic101001e
Hofer, Thomas S., Pribil, Andreas B., Randolf, Bernhard R., Rode, Bernd M. (2005) Structure and Dynamics of Solvated Sn(II) in Aqueous Solution:  An ab Initio QM/MM MD Approach. Journal Of The American Chemical Society, 127 (41) 14231-14238 doi:10.1021/ja052700f
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
Fatmi, M. Qaiser, Hofer, Thomas S., Randolf, Bernhard R., Rode, Bernd M. (2007) Quantum mechanical charge field molecular dynamics simulation of the TiO2+ ion in aqueous solution. Journal of Computational Chemistry, 28 (10). 1704-1710 doi:10.1002/jcc.20659
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
Azam, S. Sikander, Hofer, Thomas S., Bhattacharjee, Anirban, Lim, Len Herald V., Pribil, Andreas B., Randolf, Bernhard R., Rode, Bernd M. (2009) Beryllium(II): The Strongest Structure-Forming Ion in Water? A QMCF MD Simulation Study. The Journal of Physical Chemistry B, 113 (27). 9289-9295 doi:10.1021/jp903536k
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