검색결과 : 31건
| No. | Article |
|---|---|
| 1 |
Simulation of electronic excitation in the liquid state by quantum mechanical charge field molecular dynamics Bene GE, Hofer TS, Randolf BR, Rode BM Chemical Physics Letters, 521, 74, 2012 |
| 2 |
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 |
| 3 |
Hydration of trivalent lanthanum revisited - An ab initio QMCF-MD approach Lutz OMD, Hofer TS, Randolf BR, Rode BM Chemical Physics Letters, 536, 50, 2012 |
| 4 |
Computational study of the cerium(III) ion in aqueous environment Lutz OMD, Hofer TS, Randolf BR, Rode BM Chemical Physics Letters, 539, 50, 2012 |
| 5 |
A QMCF-MD Investigation of the Structure and Dynamics of Ce4+ in Aqueous Solution Lutz OMD, Hofer TS, Randolf BR, Weiss AKH, Rode BM Inorganic Chemistry, 51(12), 6746, 2012 |
| 6 |
Computational study of the hafnium (IV) ion in aqueous solution Messner CB, Hofer TS, Randolf BR, Rode BM Chemical Physics Letters, 501(4-6), 292, 2011 |
| 7 |
Hydration of highly charged ions Hofer TS, Weiss AKH, Randolf BR, Rode BM Chemical Physics Letters, 512(4-6), 139, 2011 |
| 8 |
Sulfur Dioxide in Water: Structure and Dynamics Studied by an Ab Initio Quantum Mechanical Charge Field Molecular Dynamics Simulation Moin ST, Lim LHV, Hofer TS, Randolf BR, Rode BM Inorganic Chemistry, 50(8), 3379, 2011 |
| 9 |
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 |
| 10 |
Structural and Dynamical Aspects of the Unsymmetric Hydration of Sb(III): An ab initio Quantum Mechanical Charge Field Molecular Dynamics Simulation Lim LHV, Bhattacharjee A, Asam SS, Hofer TS, Randolf BR, Rode BM Inorganic Chemistry, 49(5), 2132, 2010 |