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Lim, Len Herald V., Bhattacharjee, Anirban, Randolf, Bernhard R., Rode, Bernd M. (2010) Hydrolysis of tetravalent group IV metal ions: an ab initio simulation study. Physical Chemistry Chemical Physics, 12 (39). 12423pp. doi:10.1039/c0cp00459f

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Reference TypeJournal (article/letter/editorial)
TitleHydrolysis of tetravalent group IV metal ions: an ab initio simulation study
JournalPhysical Chemistry Chemical Physics
AuthorsLim, Len Herald V.Author
Bhattacharjee, AnirbanAuthor
Randolf, Bernhard R.Author
Rode, Bernd M.Author
Year2010Volume12
Issue39
PublisherRoyal Society of Chemistry (RSC)
DOIdoi:10.1039/c0cp00459fSearch in ResearchGate
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Mindat Ref. ID4013899Long-form Identifiermindat:1:5:4013899:6
GUID0
Full ReferenceLim, Len Herald V., Bhattacharjee, Anirban, Randolf, Bernhard R., Rode, Bernd M. (2010) Hydrolysis of tetravalent group IV metal ions: an ab initio simulation study. Physical Chemistry Chemical Physics, 12 (39). 12423pp. doi:10.1039/c0cp00459f
Plain TextLim, Len Herald V., Bhattacharjee, Anirban, Randolf, Bernhard R., Rode, Bernd M. (2010) Hydrolysis of tetravalent group IV metal ions: an ab initio simulation study. Physical Chemistry Chemical Physics, 12 (39). 12423pp. doi:10.1039/c0cp00459f
In(2010) Physical Chemistry Chemical Physics Vol. 12 (39) Royal Society of Chemistry (RSC)

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Lim, Len Herald V., Bhattacharjee, Anirban, Asam, S. Sikander, Hofer, Thomas S., Randolf, Bernhard R., Rode, Bernd M. (2010) Structural and Dynamical Aspects of the Unsymmetric Hydration of Sb(III): An ab initio Quantum Mechanical Charge Field Molecular Dynamics Simulation. Inorganic Chemistry, 49 (5) 2132-2140 doi:10.1021/ic901737y
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
Bhattacharjee, Anirban, Hofer, Thomas S., Pribil, Andreas B., Randolf, Bernhard R., Lim, Len Herald V., Lichtenberger, Andreas F., Rode, Bernd M. (2009) Revisiting the Hydration of Pb(II): A QMCF MD Approach. The Journal of Physical Chemistry B, 113 (39). 13007-13013 doi:10.1021/jp905848x
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
Moin, Syed Tarique, Lim, Len Herald V., Hofer, Thomas S., Randolf, Bernhard R., Rode, Bernd M. (2011) Sulfur Dioxide in Water: Structure and Dynamics Studied by an Ab Initio Quantum Mechanical Charge Field Molecular Dynamics Simulation. Inorganic Chemistry, 50 (8) 3379-3386 doi:10.1021/ic102240p
Bhattacharjee, Anirban, Hofer, Thomas S., Pribil, Andreas B., Randolf, Bernhard R., Rode, Bernd M. (2010) Hydrolytic conversion of AsO−34 to HAsO−24: a QMCF MD study. Physical Chemistry Chemical Physics, 12 (23). 6244pp. doi:10.1039/b927138d
Frick, Robert J., Hofer, Thomas S., Pribil, Andreas B., Randolf, Bernhard R., Rode, Bernd M. (2010) Structure and dynamics of the UO+2 ion in aqueous solution: an ab initio QMCF-MD study. Physical Chemistry Chemical Physics, 12 (37). 11736pp. doi:10.1039/c003169k
Bhattacharjee, Anirban, Pribil, Andreas B., Randolf, Bernhard R., Rode, Bernd M., Hofer, Thomas S. (2012) Hydration of Mg2+ and its influence on the water hydrogen bonding network via ab initio QMCF MD. Chemical Physics Letters, 536. 39-44 doi:10.1016/j.cplett.2012.03.049
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
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
Lim, Len Herald V., Hofer, Thomas S., Pribil, Andreas B., Rode, Bernd M. (2009) The Hydration Structure of Sn(II): An ab initio Quantum Mechanical Charge Field Molecular Dynamics Study. The Journal of Physical Chemistry B, 113 (13). 4372-4378 doi:10.1021/jp809937h
 
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