| 1 |
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 |
| 2 |
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 |
| 3 |
A Comparative Study of [CaEDTA](2-) and [MgEDTA](2-): Structural and Dynamical Insights from Quantum Mechanical Charge Field Molecular Dynamics
Tirler AO, Hofer TS
Journal of Physical Chemistry B, 119(27), 8613, 2015 |
| 4 |
Characteristics of selenate in aqueous solution - An ab initio QMCF-MD study
Sakwarathorn T, Pongstabodee S, Vchirawongkwin V, Canaval LR, Tirler AO, Hofer TS
Chemical Physics Letters, 595, 226, 2014 |
| 5 |
Structure and Dynamics of the Uranyl Tricarbonate Complex in Aqueous Solution: Insights from Quantum Mechanical Charge Field Molecular Dynamics
Tirler AO, Hofer TS
Journal of Physical Chemistry B, 118(45), 12938, 2014 |
| 6 |
A Comparative Quantum Mechanical Charge Field Study of Uranyl Mono- and Dicarbonate Species in Aqueous Solution
Tirler AO, Weiss AKH, Hofer TS
Journal of Physical Chemistry B, 117(50), 16174, 2013 |
