| 1 |
Using Density Functional Theory To Interpret the Infrared Spectra of Flexible Cyclic Phosphazenes
King AK, Plant DF, Golding P, Lawson MA, Davies PB
Journal of Physical Chemistry A, 116(9), 2080, 2012 |
| 2 |
Diffusion of methanol in zeolite NaY: A molecular dynamics study
Plant DF, Maurin G, Bell RG
Journal of Physical Chemistry B, 111(11), 2836, 2007 |
| 3 |
CO2 adsorption in alkali cation exchanged Y faujasites: A quantum chemical study compared to experiments
Plant DF, Maurin G, Deroche I, Gaberova L, Llewellyn PL
Chemical Physics Letters, 426(4-6), 387, 2006 |
| 4 |
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 |
| 5 |
Molecular dynamics simulation of the cation motion upon adsorption of CO2 in faujasite zeolite systems
Plant DF, Maurin G, Jobic H, Llewellyn PL
Journal of Physical Chemistry B, 110(29), 14372, 2006 |
| 6 |
Modeling the concentration dependence of the methanol self-diffusivity in faujasite systems: Comparison with the liquid phase
Plant DF, Maurin G, Bell RG
Journal of Physical Chemistry B, 110(32), 15926, 2006 |
| 7 |
Cation migration upon adsorption of methanol in NaY and NaX faujasite systems: A molecular dynamics approach
Maurin G, Plant DF, Henn F, Bell RG
Journal of Physical Chemistry B, 110(37), 18447, 2006 |
