검색결과 : 11건
| No. | Article |
|---|---|
| 1 |
Stability Series for the Complexation of Six Key Siderophore Functional Groups with Uranyl Using Density Functional Theory Kirby ME, Sonnenberg JL, Simperler A, Weiss DJ Journal of Physical Chemistry A, 124(12), 2460, 2020 |
| 2 |
Computational Tools for Calculating log beta Values of Geochemically Relevant Uranium Organometallic Complexes Kirby ME, Simperler A, Krevor S, Weiss DJ, Sonnenberg JL Journal of Physical Chemistry A, 122(40), 8007, 2018 |
| 3 |
Adsorption of methanol on zeolites X and Y. An atomistic and quantum chemical study Plant DF, Simperler A, Bell RG Journal of Physical Chemistry B, 110(12), 6170, 2006 |
| 4 |
Glass transition temperature of glucose, sucrose, and trehalose: An experimental and in silico study Simperler A, Kornherr A, Chopra R, Bonnet PA, Jones W, Motherwell WDS, Zifferer G Journal of Physical Chemistry B, 110(39), 19678, 2006 |
| 5 |
Tetrahedral distortion and energetic packing penalty in "zeolite" frameworks: Linked phenomena? Zwijnenburg MA, Simperler A, Wells SA, Bell RG Journal of Physical Chemistry B, 109(31), 14783, 2005 |
| 6 |
Hypothetical uninodal zeolite structures: Comparison of AlPO4 and SiO2 compositions using computer simulation Simperler A, Foster MD, Bell RG, Klinowski J Journal of Physical Chemistry B, 108(3), 869, 2004 |
| 7 |
Probing the acid strength of Bronsted acidic zeolites with acetonitrile: Quantum chemical calculation of H-1, N-15, and C-13 NMR shift parameters Simperler A, Bell RG, Anderson MW Journal of Physical Chemistry B, 108(22), 7142, 2004 |
| 8 |
Probing the acid strength of Bronsted acidic zeolites with acetonitrile: An atomistic and quantum chemical study Simperler A, Bell RG, Foster MD, Gray AE, Lewis DW, Anderson MW Journal of Physical Chemistry B, 108(22), 7152, 2004 |
| 9 |
Chemically feasible hypothetical crystalline networks Foster MD, Simperler A, Bell RG, Friedrichs OD, Paz FAA, Klinowski J Nature Materials, 3(4), 234, 2004 |
| 10 |
The extremely high specificity of N-methyldicyclohexylamine for the production of the large-pore microporous AFI material Sanchez-Sanchez M, Sankar G, Simperler A, Bell RG, Catlow CRA, Thomas JM Catalysis Letters, 88(3-4), 163, 2003 |