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    3 research outputs found

    Communication: Practical intramolecular symmetry adapted perturbation theory via Hartree-Fock embedding

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    'AIP Publishing'
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    Simulating Solvation and Acidity in Complex Mixtures with First-Principles Accuracy: The Case of CH3SO3H and H2O2 in Phenol

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    Publication venue
    'American Chemical Society (ACS)'
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    29Si NMR chemical shifts of silane derivatives

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    Publication venue
    'Elsevier BV'
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