Optimization of Capping Potentials for Spectroscopic Parameters in Hybrid 
Quantum Mechanical/Mechanical Modeling Calculations

Komin, S.; Sebastiani, Daniel

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Optimization of Capping Potentials for Spectroscopic Parameters in Hybrid Quantum Mechanical/Mechanical Modeling Calculations

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Komin, S.
MPI for Polymer Research, Max Planck Society;

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Sebastiani, Daniel
MPI for Polymer Research, Max Planck Society;

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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.

Cite as: https://hdl.handle.net/11858/00-001M-0000-000F-7634-1

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