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Journal Abstract Search
167 related items for PubMed ID: 20717571
1. Structure and dynamics of the UO2+ ion in aqueous solution: an ab initio QMCF-MD study. Frick RJ, Hofer TS, Pribil AB, Randolf BR, Rode BM. Phys Chem Chem Phys; 2010 Oct 07; 12(37):11736-43. PubMed ID: 20717571 [Abstract] [Full Text] [Related]
5. Quantum mechanical charge field molecular dynamics simulation of the TiO2+ ion in aqueous solution. Fatmi MQ, Hofer TS, Randolf BR, Rode BM. J Comput Chem; 2007 Jul 30; 28(10):1704-10. PubMed ID: 17342715 [Abstract] [Full Text] [Related]
6. Structure and dynamics of sulfate ion in aqueous solution--an ab initio QMCF MD simulation and large angle X-ray scattering study. Vchirawongkwin V, Rode BM, Persson I. J Phys Chem B; 2007 Apr 26; 111(16):4150-5. PubMed ID: 17402778 [Abstract] [Full Text] [Related]
9. On the structure and dynamics of the hydrated sulfite ion in aqueous solution--an ab initio QMCF MD simulation and large angle X-ray scattering study. Eklund L, Hofer TS, Pribil AB, Rode BM, Persson I. Dalton Trans; 2012 May 07; 41(17):5209-16. PubMed ID: 22415245 [Abstract] [Full Text] [Related]
10. Hydrated germanium (II): irregular structural and dynamical properties revealed by a quantum mechanical charge field molecular dynamics study. Azam SS, Lim LH, Hofer TS, Randolf BR, Rode BM. J Comput Chem; 2010 Jan 30; 31(2):278-85. PubMed ID: 19479764 [Abstract] [Full Text] [Related]
13. Ab initio quantum mechanical charge field study of hydrated bicarbonate ion: structural and dynamical properties. Vchirawongkwin V, Pribil AB, Rode BM. J Comput Chem; 2010 Jan 30; 31(2):249-57. PubMed ID: 19434738 [Abstract] [Full Text] [Related]
14. Structure and dynamics of Au+ ion in aqueous solution: ab initio QM/MM MD simulations. Armunanto R, Schwenk CF, Tran HT, Rode BM. J Am Chem Soc; 2004 Mar 03; 126(8):2582-7. PubMed ID: 14982468 [Abstract] [Full Text] [Related]
15. Structure and dynamics of phosphate ion in aqueous solution: an ab initio QMCF MD study. Pribil AB, Hofer TS, Randolf BR, Rode BM. J Comput Chem; 2008 Nov 15; 29(14):2330-4. PubMed ID: 18473325 [Abstract] [Full Text] [Related]