Dr Simon Banks - Publications

    2012

    2011

    • Banks, S. T., Bramwell, S. T. (2011). Magnetic frustration in the context of pseudo-dipolar ionic disorder. Author URL
    • Remmert, S. M., Banks, S. T., Harvey, J. N., Orr-Ewing, A. J., Clary, D. C. (2011). Reduced dimensionality spin-orbit dynamics of CH3 + HCl reversible arrow CH4 Cl on ab initio surfaces. J CHEM PHYS 134(20), 204311 doi:10.1063/1.3592732.
    • von Horsten, H. F., Banks, S. T., Clary, D. C. (2011). An efficient route to thermal rate constants in reduced dimensional quantum scattering simulations: Applications to the abstraction of hydrogen from alkanes. J CHEM PHYS 135(9), 094311 doi:10.1063/1.3625960.

    2009

    • Banks, S. T., Clary, D. C. (2009). Chemical reaction surface vibrational frequencies evaluated in curvilinear internal coordinates: Application to H+CH4 -><- H-2+CH3. J CHEM PHYS 130(2), 024106 doi:10.1063/1.3052076.
    • Banks, S. T., Tautermann, C. S., Remmert, S. M., Clary, D. C. (2009). An improved treatment of spectator mode vibrations in reduced dimensional quantum dynamics: Application to the hydrogen abstraction reactions mu+CH4, H+CH4, D+CH4, and CH3+CH4. J CHEM PHYS 131(4), 044111 doi:10.1063/1.3177380.
    • Remmert, S. M., Banks, S. T., Clary, D. C. (2009). Reduced Dimensionality Quantum Dynamics of CH3 + CH4 -> CH4 + CH3: Symmetric Hydrogen Exchange on an Ab Initio Potential. J PHYS CHEM A 113(16), 4255-4264 doi:10.1021/jp810803k.
    • Remmert, S. M., Banks, S. T., Clary, D. C. (2009). Reduced dimensionality quantum dynamics of the polyatomic reaction CH3 + CH4 -> CH4 + CH3 on an ab initio surface. ABSTR PAP AM CHEM S 238

    2008

    • Fleig, T., Edvardsson, D., Banks, S. T., Eland, J. H. D. (2008). A theoretical and experimental study of the double photoionisation of molecular bromine and a new double ionisation mechanism. CHEM PHYS 343(2-3), 270-280 doi:10.1016/j.chemphys.2007.08.007.

    2007

    • Banks, S. T., Clary, D. C. (2007). Reduced dimensionality quantum dynamics of Cl+CH4 -> HCl+CH3 on an ab initio potential. PHYS CHEM CHEM PHYS 9(8), 933-943 doi:10.1039/b615460c.

    2005

    • Banks, S. T., Bramwell, S. T. (2005). Temperature-dependent fluctuations in the two-dimensional XY model. J PHYS A-MATH GEN 38(25), 5603-5615 doi:10.1088/0305-4470/38/25/001.