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  1. 1
    Exploring the Influence of the Phosphorus‐Heteroatom Substitution in Nicotine on Its Electronic and Vibrational Spectroscopic Properties

    Exploring the Influence of the Phosphorus‐Heteroatom Substitution in Nicotine on Its Electronic and Vibrational Spectroscopic Properties von Taherivardanjani, Shima, Wylie, Luke, Dötzer, Reinhard, Kirchner, Barbara

    Veröffentlicht in Chemistry : a European journal

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  2. 2
    Conformer Weighting and Differently Sized Cluster Weighting for Nicotine and Its Phosphorus Derivatives

    Conformer Weighting and Differently Sized Cluster Weighting for Nicotine and Its Phosphorus Derivatives von Taherivardanjani, Shima, Blasius, Jan, Brehm, Martin, Dötzer, Reinhard, Kirchner, Barbara


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  3. 3
    Benchmarking the Computational Costs and Quality of Vibrational Spectra from Ab Initio Simulations

    Benchmarking the Computational Costs and Quality of Vibrational Spectra from Ab Initio Simulations von Taherivardanjani, Shima, Elfgen, Roman, Reckien, Werner, Suarez, Estela, Perlt, Eva, Kirchner, Barbara

    Veröffentlicht in Advanced theory and simulations

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