Showing 1 - 3 results of 3 for search '"Computational chemistry"', query time: 0.03s Refine Results
  1. 1
    Nucleophilic addition to carbonyl groups from qualitative to quantitative computational studies. A historical perspective

    Nucleophilic addition to carbonyl groups from qualitative to quantitative computational studies. A historical perspective by Eisenstein, Odile

    Published 2024-03-01
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  2. 2
    Computational and experimental exploration of morpholine pendent 2-hydrazineyl thiazole: Insights from DFT, ADME profiling, antifungal efficacy and molecular docking analyses

    Computational and experimental exploration of morpholine pendent 2-hydrazineyl thiazole: Insights from DFT, ADME profiling, antifungal efficacy and molecular docking analyses by Vishnu A. Adole, I.Antony Danish, J.Jebasingh Kores, J.Winfred Jebaraj, S. Janani, Suresh K. Ghotekar, Rakesh D. Amrutkar

    Published 2025-01-01
    Subjects: “…Computational chemistry…”
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  3. 3
    CombinatorixPy: Advancing mixture descriptors for computational chemistry

    CombinatorixPy: Advancing mixture descriptors for computational chemistry by Rahil Ashtari Mahini, Gerardo Casanola-Martin, Stephen Szwiec, Simone A. Ludwig, Bakhtiyor Rasulev

    Published 2025-02-01
    Subjects: “…Computational chemistry…”
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