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  1. 1
    Calculation of the Global and Local Conceptual DFT Indices for the Prediction of the Chemical Reactivity Properties of Papuamides A–F Marine Drugs
    Subjects: “...Chemical Reactivity Theory...”
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    Article
  2. 2
    CDFT-Based Reactivity Descriptors as a Useful MEDT Chemoinformatics Tool for the Study of the Virotoxin Family of Fungal Peptides
    Subjects: “...chemical reactivity theory...”
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  3. 3
    Chemical Reactivity Theory and Empirical Bioactivity Scores as Computational Peptidology Alternative Tools for the Study of Two Anticancer Peptides of Marine Origin
    Subjects: “...chemical reactivity theory...”
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  4. 4
    A CONCEPTUAL DFT STUDY OF THE CHEMICAL REACTIVITY OF MAGNESIUM OCTAETHYLPORPHYRIN (MgOEP) AS PREDICTED BY THE MINNESOTA FAMILY OF DENSITY FUNCTIONALS
    Subjects: “...Chemical Reactivity Theory...”
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  5. 5
    Chemical Reactivity Theory Study of Advanced Glycation Endproduct Inhibitors
    by Juan Frau, Daniel Glossman-Mitnik
    Published 2017-02-01
    Subjects: “...chemical reactivity theory...”
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  6. 6
    Understanding Electronic Structure and Chemical Reactivity: Quantum-Information Perspective
    by Roman F. Nalewajski
    Published 2019-03-01
    Subjects: “...chemical reactivity theory...”
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    Article
  7. 7
    Conceptual DFT-Based Computational Peptidology of Marine Natural Compounds: Discodermins A–H
    Subjects: “...Chemical Reactivity Theory...”
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  8. 8
    Phase Equalization, Charge Transfer, Information Flows and Electron Communications in Donor–Acceptor Systems
    by Roman F. Nalewajski
    Published 2020-05-01
    Subjects: “...chemical reactivity theory...”
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    Article
  9. 9
    Chemical-Reactivity Properties, Drug Likeness, and Bioactivity Scores of Seragamides A–F Anticancer Marine Peptides: Conceptual Density Functional Theory Viewpoint
    Subjects: “...chemical-reactivity theory...”
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  10. 10
    The Application of Quantum Mechanics in Reactivity of Molecules
    Published 2021
    Subjects: “...chemical reactivity theory...”
    Open Access: DOAB: description of the publication
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