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Nguyen T. C., Czaplewski Cezary, Lubecka E. A., Liwo Adam, Implementation of Time-Averaged Restraints with UNRES Coarse-Grained Model of Polypeptide Chains, JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 21, 3, 1476-1493, 2025 |  |
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Maździarz Marcin, Uncertainty of DFT Calculated Mechanical and Structural Properties of Solids due to Incompatibility of Pseudopotentials and Exchange–Correlation Functionals, JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 20, 21, 9734-9740, 2024 |  |
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Azevedo Moreira R., Energy Gaps of Polyradicals from an Effective and Transferable Hamiltonian with through-Bond Interactions, JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 14, 1, 1-8, 2018 |  |
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