| 1 |
The hydration properties of Eu(II) and Eu(III): An ab initio quantum mechanical molecular dynamics study
Canaval LR, Rode BM
Chemical Physics Letters, 618, 78, 2015 |
| 2 |
The performance of RI-MP2 based potential energy surfaces in a vibrational self-consistent field treatment
Lutz OMD, Rode BM, Bonn GK, Huck CW
Chemical Physics Letters, 619, 66, 2015 |
| 3 |
The lanthanoid hydration properties beyond the'Gadolinium Break': Dysprosium (III) and holmium (III), an ab initio quantum mechanical molecular dynamics study
Tirler AO, Passler PP, Rode BM
Chemical Physics Letters, 635, 120, 2015 |
| 4 |
Thulium(III) and ytterbium(III) in aqueous solution ab initio quantum mechanical charge field molecular dynamics studies
Passler PP, Rode BM
Chemical Physics Letters, 638, 128, 2015 |
| 5 |
The properties of trivalent praseodymium, neodymium, promethium and samarium ions in water: A quantum mechanical molecular dynamics study
Passler PP, Rode BM
Chemical Physics Letters, 642, 17, 2015 |
| 6 |
The hydration properties of Gd(III) and Tb(III): An ab initio quantum mechanical molecular dynamics study
Canaval LR, Passler PP, Rode BM
Chemical Physics Letters, 625, 116, 2015 |
| 7 |
Is the Hexacyanoferrate(II) Anion Stable in Aqueous Solution? A Combined Theoretical and Experimental Study
Tirler AO, Persson I, Hofer TS, Rode BM
Inorganic Chemistry, 54(21), 10335, 2015 |
| 8 |
Structure and Dynamics of Chromatographically Relevant Fe(III)-Chelates
Messner CB, Lutz OMD, Rainer M, Huck CW, Hofer TS, Rode BM, Bonn GK
Journal of Physical Chemistry B, 118(42), 12232, 2014 |
| 9 |
Erbium(III) in Aqueous Solution: An Ab Initio Molecular Dynamics Study
Canaval LR, Sakwarathorn T, Rode BM, Messner CB, Lutz OMD, Bonn GK
Journal of Physical Chemistry B, 117(48), 15151, 2013 |
| 10 |
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 |
