검색결과 : 12건
| No. | Article |
|---|---|
| 1 |
Hydration of Mg2+ and its influence on the water hydrogen bonding network via ab initio QMCF MD Bhattacharjee A, Pribil AB, Randolf BR, Rode BM, Hofer TS Chemical Physics Letters, 536, 39, 2012 |
| 2 |
Structure and dynamics of hydrated Ag+: An ab initio quantum mechanical/charge field simulation Blauth CM, Pribil AB, Randolf BR, Rode BM, Hofer TS Chemical Physics Letters, 500(4-6), 251, 2010 |
| 3 |
A Quantum Mechanical Charge Field Molecular Dynamics Study of Fe2+ and Fe3+ Ions in Aqueous Solutions Moin ST, Hofer TS, Pribil AB, Randolf BR, Rode BM Inorganic Chemistry, 49(11), 5101, 2010 |
| 4 |
Structure and Dynamics of the Chromate Ion in Aqueous Solution. An ab Initio QMCF-MD Simulation Hinteregger E, Pribil AB, Hofer TS, Randolf BR, Weiss AKH, Rode BM Inorganic Chemistry, 49(17), 7964, 2010 |
| 5 |
Structural and Dynamic Aspects of Hydration of HAsO4-2 : An ab initio QMCF MD Simulation Bhattacharjee A, Pribil AB, Lim LHV, Hofer TS, Randolf BR, Rode BM Journal of Physical Chemistry B, 114(11), 3921, 2010 |
| 6 |
Hydrolysis of As(III): A femtosecond process Bhattacharjee A, Hofer TS, Pribil AB, Randolf BR, Rode BM Chemical Physics Letters, 473(1-3), 176, 2009 |
| 7 |
Structure and Dynamics of the U4+ Ion in Aqueous Solution: An ab Initio Quantum Mechanical Charge Field Molecular Dynamics Study Frick RJ, Pribil AB, Hofer TS, Randolf BR, Bhattacharjee A, Rode BM Inorganic Chemistry, 48(9), 3993, 2009 |
| 8 |
Structure and Dynamics of the UO22+ Ion in Aqueous Solution: An Ab Initio QMCF MD Study Frick RJ, Hofer TS, Pribil AB, Randolf BR, Rode BM Journal of Physical Chemistry A, 113(45), 12496, 2009 |
| 9 |
The Hydration Structure of Sn(II): An ab initio Quantum Mechanical Charge Field Molecular Dynamics Study Lim LHV, Hofer TS, Pribil AB, Rode BM Journal of Physical Chemistry B, 113(13), 4372, 2009 |
| 10 |
Beryllium(II): The Strongest Structure-Forming Ion in Water? A QMCF MD Simulation Study Azam SS, Hofer TS, Bhattacharjee A, Lim LHV, Pribil AB, Randolf BR, Rode BM Journal of Physical Chemistry B, 113(27), 9289, 2009 |