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 2009, 113, 11856–11865.

Keal, T. W.; Wanko, M.; Thiel, W. Assessment of Semiempirical Methods for the Photoisomerisation of a Protonated Schiff Base. Theoretical Chemistry Accounts 2009, 123, 145–156.

Fabiano, E.; Keal, T. W.; Thiel, W. Implementation of Surface Hopping Molecular Dynamics Using Semiempirical Methods. Chemical Physics 2008, 349, 334–347.

Keal, T. W.; Koslowski, A.; Thiel, W. Comparison of Algorithms for Conical Intersection Optimisation Using Semiempirical Methods. Theoretical Chemistry Accounts 2007, 118, 837–844.