Hofer TS - Search Results

1

Storage and Diffusion of Carbon Dioxide in the Metal Organic Framework MOF-5─A Semi-empirical Molecular Dynamics Study.

Listyarini RV, Gamper J, Hofer TS. Listyarini RV, et al. Among authors: hofer ts. J Phys Chem B. 2023 Nov 2;127(43):9378-9389. doi: 10.1021/acs.jpcb.3c04155. Epub 2023 Oct 19. J Phys Chem B. 2023. PMID: 37857343 Free PMC article.

2

Temperature effects on the structural and dynamical properties of the Zn(II)-water complex in aqueous solution: a QM/MM molecular dynamics study.

Fatmi MQ, Hofer TS, Randolf BR, Rode BM. Fatmi MQ, et al. Among authors: hofer ts. J Phys Chem B. 2006 Jan 12;110(1):616-21. doi: 10.1021/jp0546655. J Phys Chem B. 2006. PMID: 16471574

3

Sr(II) in water: A labile hydrate with a highly mobile structure.

Hofer TS, Randolf BR, Rode BM. Hofer TS, et al. J Phys Chem B. 2006 Oct 19;110(41):20409-17. doi: 10.1021/jp0638033. J Phys Chem B. 2006. PMID: 17034225

4

Stability of different zinc(II)-diamine complexes in aqueous solution with respect to structure and dynamics: a QM/MM MD study.

Fatmi MQ, Hofer TS, Randolf BR, Rode BM. Fatmi MQ, et al. Among authors: hofer ts. J Phys Chem B. 2007 Jan 11;111(1):151-8. doi: 10.1021/jp0654213. J Phys Chem B. 2007. PMID: 17201439

5

Al(III) hydration revisited. An ab initio quantum mechanical charge field molecular dynamics study.

Hofer TS, Randolf BR, Rode BM. Hofer TS, et al. J Phys Chem B. 2008 Sep 18;112(37):11726-33. doi: 10.1021/jp802663h. Epub 2008 Aug 26. J Phys Chem B. 2008. PMID: 18729393

6

Hydration of sodium(I) and potassium(I) revisited: a comparative QM/MM and QMCF MD simulation study of weakly hydrated ions.

Azam SS, Hofer TS, Randolf BR, Rode BM. Azam SS, et al. Among authors: hofer ts. J Phys Chem A. 2009 Mar 5;113(9):1827-34. doi: 10.1021/jp8093462. J Phys Chem A. 2009. PMID: 19203258

7

The hydration structure of Sn(II): an ab initio quantum mechanical charge field molecular dynamics study.

Lim LH, Hofer TS, Pribil AB, Rode BM. Lim LH, et al. Among authors: hofer ts. J Phys Chem B. 2009 Apr 2;113(13):4372-8. doi: 10.1021/jp809937h. J Phys Chem B. 2009. PMID: 19253986

8

Beryllium(II): the strongest structure-forming ion in water? A QMCF MD simulation study.

Azam SS, Hofer TS, Bhattacharjee A, Lim LH, Pribil AB, Randolf BR, Rode BM. Azam SS, et al. Among authors: hofer ts. J Phys Chem B. 2009 Jul 9;113(27):9289-95. doi: 10.1021/jp903536k. J Phys Chem B. 2009. PMID: 19522491

9

Structure and dynamics of the UO(2)(2+) ion in aqueous solution: an ab initio QMCF MD study.

Frick RJ, Hofer TS, Pribil AB, Randolf BR, Rode BM. Frick RJ, et al. Among authors: hofer ts. J Phys Chem A. 2009 Nov 12;113(45):12496-503. doi: 10.1021/jp903750r. J Phys Chem A. 2009. PMID: 19606826

10

Revisiting the hydration of Pb(II): a QMCF MD approach.

Bhattacharjee A, Hofer TS, Pribil AB, Randolf BR, Lim LH, Lichtenberger AF, Rode BM. Bhattacharjee A, et al. Among authors: hofer ts. J Phys Chem B. 2009 Oct 1;113(39):13007-13. doi: 10.1021/jp905848x. J Phys Chem B. 2009. PMID: 19728688

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