Komin, S. MPI for Polymer Research, Max Planck Society;
Sebastiani, Daniel MPI for Polymer Research, Max Planck Society;
Komin, S., & Sebastiani, D. (2009). Optimization of Capping Potentials for Spectroscopic Parameters in Hybrid Quantum Mechanical/Mechanical Modeling Calculations. Journal of Chemical Theory and Computation, 5(6), 1490-1498.