A theoretical and experimental study of the double photoionisation of molecular bromine and a new double ionisation mechanism

Autor: Fleig, Timo, Edvardsson, David, Banks, Simon T., Eland, John H.D.

Publikováno v: In Chemical Physics 2008 343(2):270-280

An improved treatment of spectator mode vibrations in reduced dimensional quantum dynamics: Application to the hydrogen abstraction reactions μ+CH4, H+CH4, D+CH4, and CH3+CH4.

Autor: Banks, Simon T., Tautermann, Christofer S., Remmert, Sarah M., Clary, David C.

Publikováno v: Journal of Chemical Physics; 7/28/2009, Vol. 131 Issue 4, p044111, 12p, 2 Diagrams, 6 Charts, 9 Graphs

Chemical reaction surface vibrational frequencies evaluated in curvilinear internal coordinates: Application to H+CH4<=>H2+CH3.

Autor: Banks, Simon T., Clary, David C.

Publikováno v: Journal of Chemical Physics; 1/14/2009, Vol. 130 Issue 2, p024106, 12p, 2 Diagrams, 7 Charts, 4 Graphs

Reduced dimensionality spin-orbit dynamics of CH3 + HCl reversible arrow CH4 Cl on ab initio surfaces

Autor: Remmert, Sarah M., Banks, Simon T., Harvey, Jeremy N., Orr-Ewing, Andrew J., Clary, David C.

Publikováno v: 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 ', Journal of Chemical Physics, vol. 134, no. 20, 204311, pp.-. https://doi.org/10.1063/1.3592732

A reduced dimensionality quantum scattering method is extended to the study of spin-orbit nonadiabatic transitions in the CH3 + HCl reversible arrow CH4 + Cl(P-2(J)) reaction. Three two-dimensional potential energy surfaces are developed by fitting a

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https://research-information.bris.ac.uk/en/publications/8bbf816e-a780-407f-b3a3-5dfe93c62a79

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