Journal - Journal of Chemical Theory and Computation

1. D. De Sancho, A. Kubas, P. H. Wang, J. Blumberger and R. B. Best
Journal of Chemical Theory and Computation 11, 1919 (2015)
Identification of Mutational Hot Spots for Substrate Diffusion: Application to Myoglobin

2. L. A. Constantin and J.M. Pitarke
Journal of Chemical Theory and Computation 5, 895 (2009)
The Many-Body Exchange-Correlation Hole at Metal Surfaces

Publications