Publikationen von T. W. Keal
Alle Typen
Zeitschriftenartikel (4)
2009
Zeitschriftenartikel
113, S. 11856 - 11865 (2009)
DL-FIND: An Open-Source Geometry Optimizer for Atomistic Simulations. Journal of Physical Chemistry A
Zeitschriftenartikel
123, S. 145 - 156 (2009)
Assessment of semiempirical methods for the photoisomerisation of a protonated Schiff base. Theoretical Chemistry Accounts 2008
Zeitschriftenartikel
349, S. 334 - 347 (2008)
Implementation of surface hopping molecular dynamics using semiempirical methods. Chemical Physics 2007
Zeitschriftenartikel
118, S. 837 - 844 (2007)
Comparison of algorithms for conical intersection optimisation using semiempirical methods. Theoretical Chemistry Accounts