@article{jmlm178,
   shorthand = {178},
   abstract = {A density functional theory exchange-correlation functional for the exploration of reaction mechanisms is proposed. This functional, denoted BMK (Boese-Martin for Kinetics), has an accuracy in the 2 kcal/mol range for transition state barriers but, unlike previous attempts at such a functional, this improved accuracy does not come at the expense of equilibrium properties. This makes it a general-purpose functional whose domain of applicability has been extended to transition states, rather than a specialized functional for kinetics. The improvement in BMK rests on the inclusion of the kinetic energy density together with a large value of the exact exchange mixing coefficient. For this functional, the kinetic energy density appears to correct "back" the excess exact exchange mixing for ground-state properties, possibly simulating variable exchange.},
   author = {A. Daniel Boese and Jan M. L. Martin},
   doi = {10.1063/1.1774975},
   issn = {0021-9606},
   issue = {8},
   journal = {The Journal of chemical physics},
   month = {8},
   pages = {3405-16},
   pmid = {15303903},
   title = {Development of density functionals for thermochemical kinetics.},
   volume = {121},
   year = {2004},
}

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