| 1 |
The Stability of Bisulfite and Sulfonate Ions in Aqueous Solution Characterized by Hydration Structure and Dynamics
Vchirawongkwin V, Pornpiganon C, Kritayakornupong C, Tongraar A, Rode BM
Journal of Physical Chemistry B, 116(37), 11498, 2012 |
| 2 |
Symmetry Breaking and Hydration Structure of Carbonate and Nitrate in Aqueous Solutions: A Study by Ab Initio Quantum Mechanical Charge Field Molecular Dynamics
Vchirawongkwin V, Kritayakornupong C, Tongraar A, Rode BM
Journal of Physical Chemistry B, 115(43), 12527, 2011 |
| 3 |
Structural and Dynamical Properties and Vibrational Spectra of Bisulfate Ion in Water: A Study by Ab Initio Quantum Mechanical Charge Field Molecular Dynamics
Vchirawongkwin V, Kritayakornupong C, Rode BM
Journal of Physical Chemistry B, 114(35), 11561, 2010 |
| 4 |
Determination of Structure and Dynamics of the Solvated Bisulfide (HS-) Ion by ab Initio QMCF Molecular Dynamics
Kritayakornupong C, Vchirawongkwin V, Rode BM
Journal of Physical Chemistry B, 114(40), 12883, 2010 |
| 5 |
The Jahn-Teller effect of the Ag2+ ion in aqueous solution: A hybrid ab initio quantum mechanical/molecular mechanical molecular dynamics simulation
Kritayakornupong C
Chemical Physics Letters, 455(4-6), 207, 2008 |
| 6 |
Structural and dynamical properties of hydrogen fluoride in aqueous solution: An ab initio quantum mechanical charge field molecular dynamics simulation
Kritayakornupong C, Vchirawongkwin V, Hofer TS, Rodo BM
Journal of Physical Chemistry B, 112(38), 12032, 2008 |
| 7 |
Ab initio QM/MM molecular dynamics simulations of Ru3+ in aqueous solution
Kritayakornupong C
Chemical Physics Letters, 441(4-6), 226, 2007 |
| 8 |
Dynamics in the hydration shell of Hg2+ ion: classical and ab initio QM/MM molecular dynamics simulations
Kritayakornupong C, Plankensteiner K, Rode BM
Chemical Physics Letters, 371(3-4), 438, 2003 |
| 9 |
Molecular dynamics simulations of Hg2+ in aqueous solution including N-body effects
Kritayakornupong C, Rode BM
Journal of Chemical Physics, 118(11), 5065, 2003 |
| 10 |
Structural and dynamical properties of Co(III) in aqueous solution: Ab initio quantum mechanical/molecular mechanical molecular dynamics simulation
Kritayakornupong C, Plankensteiner K, Rode BM
Journal of Chemical Physics, 119(12), 6068, 2003 |
