Publications of T. W. Keal

Kästner, J.; Carr, J. M.; Keal, T. W.; Thiel, W.; Wander, A.; Sherwood, P.: DL-FIND: An Open-Source Geometry Optimizer for Atomistic Simulations. Journal of Physical Chemistry A 113, pp. 11856 - 11865 (2009)

Keal, T. W.; Wanko, M.; Thiel, W.: Assessment of semiempirical methods for the photoisomerisation of a protonated Schiff base. Theoretical Chemistry Accounts 123, pp. 145 - 156 (2009)

Fabiano, E.; Keal, T. W.; Thiel, W.: Implementation of surface hopping molecular dynamics using semiempirical methods. Chemical Physics 349, pp. 334 - 347 (2008)

Keal, T. W.; Koslowski, A.; Thiel, W.: Comparison of algorithms for conical intersection optimisation using semiempirical methods. Theoretical Chemistry Accounts 118, pp. 837 - 844 (2007)