Intramolecular interaction energies in model alanine and glycine tetrapeptides. Evaluation of anisotropy, polarization, and correlation effects. A parallel ab initio HF/MP2, DFT, and polarizable molecular mechanics study - researchr publication authors

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Nohad Gresh, Sherif A. Kafafi, Jean-François Truchon, Dennis R. Salahub. Intramolecular interaction energies in model alanine and glycine tetrapeptides. Evaluation of anisotropy, polarization, and correlation effects. A parallel ab initio HF/MP2, DFT, and polarizable molecular mechanics study. Journal of Computational Chemistry, 25(6):823-834, 2004. [doi]

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