Part of the Chemical Engineering Commons

Works by Donald G. Truhlar in Chemical Engineering

2008

Tight-Binding Configuration Interaction (TBCI): A Noniterative Approach to Incorporating Electrostatics into Tight Binding, Mark A. Iron, Andreas Heyden, Grażyna Staszewska, Donald G. Truhlar
Faculty Publications

Link

2007

Adaptive Partitioning in Combined Quantum Mechanical and Molecular Mechanical Calculations of Potential Energy Functions for Multiscale Simulations, Andreas Heyden, Hai Lin, Donald G. Truhlar
Faculty Publications

Link