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Showing 1 - 20 results of 24 for search '"SAPT"', query time: 0.70s Refine Results
  1. 1
    Devices for continuous monitoring of glucose: update in technology
    by Gómez AM, Henao Carrillo DC, Muñoz Velandia OM
    Published 2017-09-01
    Subjects: “...SAPT...”
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    Article
  2. 2
    Structure-Property Relationship in Selected Naphtho- and Anthra-Quinone Derivatives on the Basis of Density Functional Theory and Car–Parrinello Molecular Dynamics
    Subjects: “...SAPT...”
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    Article
  3. 3
    Generalized Many-Body Expansion: A Fragment-Based Method for modeling Large Systems
    by Liu, Kuan-Yu
    Published 2019
    Subjects: “...SAPT...”
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  4. 4
    O ESTADO DA ARTE DA LIGAÇÃO DE HIDROGÊNIO
    by Boaz G. Oliveira
    Published 2015-12-01
    Subjects: “...SAPT...”
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    Article
  5. 5
    SAPT: ligação de hidrogênio ou interação de van der Waals?
    by Boaz G. Oliveira, Regiane C. M. U. Araújo
    Published 2012-01-01
    Subjects: “...SAPT...”
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    Article
  6. 6
    Competition of Intra- and Intermolecular Forces in Anthraquinone and Its Selected Derivatives
    Subjects: “...SAPT...”
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    Article
  7. 7
    Intermolecular Interaction in Methylene Halide (<i>CH</i><sub>2</sub><i>F</i><sub>2</sub>, <i>CH</i><sub>2</sub><i>Cl</i><sub>2</sub>, <i>CH</i><sub>2</sub><i>Br</i><sub>2</sub> and <i>CH</i><sub>2</sub><i>I</i><sub>2</sub>) Dimers
    by László Almásy, Attila Bende
    Published 2019-05-01
    Subjects: “...SAPT...”
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    Article
  8. 8
    QTAIM investigation of bis(pyrazol-1-yl)methane derivative and its Zn(II) complexes (ZnLX2, X=Cl, Br or I)
    by Dehestani Maryam, Zeidabadinejad Leila
    Published 2015-01-01
    Subjects: “...SAPT...”
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    Article
  9. 9
    Unravelling the Interactions of Magnetic Ionic Liquids by Energy Decomposition Schemes: Towards a Transferable Polarizable Force Field
    Subjects: “...SAPT...”
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    Article
  10. 10
    Static and Dynamical Quantum Studies of CX3-AlX2 and CSiX3-BX2 (X = F, Cl, Br) Complexes with Hydrocyanic Acid: Unusual Behavior of Strong π-Hole at Triel Center
    Subjects: “...SAPT...”
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    Article
  11. 11
    Computational Structures and SAPT Interaction Energies of HXeSH•••H2Y (Y=O or S) Complexes
    Subjects: “...SAPT...”
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    Article
  12. 12
    Gas Phase Computational Study of Diclofenac Adsorption on Chitosan Materials
    by Anna Kaczmarek-Kędziera
    Published 2020-05-01
    Subjects: “...SAPT...”
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    Article
  13. 13
    Versatility of the Cyano Group in Intermolecular Interactions
    by Steve Scheiner
    Published 2020-09-01
    Subjects: “...SAPT...”
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    Article
  14. 14
    Interactions between Artificial Channel Protein, Water Molecules, and Ions Based on Theoretical Approaches
    Subjects: “...SAPT...”
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    Article
  15. 15
    Concerning the Role of <i>σ</i>-Hole in Non-Covalent Interactions: Insights from the Study of the Complexes of ArBeO with Simple Ligands
    by Stefano Borocci, Felice Grandinetti, Nico Sanna
    Published 2021-07-01
    Subjects: “...SAPT analysis...”
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    Article
  16. 16
    Analysing the effectiveness of topical bleeding care following tooth extraction in patients receiving dual antiplatelet therapy-retrospective observational study
    Subjects: “...Single antiplatelet therapy (SAPT)...”
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    Article
  17. 17
    Potential of Sumanene Modified with Boron and Nitrogen Atoms for Adsorption of Carbon Dioxide: DFT and SAPT Study
    Subjects: “...symmetry-adapted perturbation theory (SAPT)...”
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    Article
  18. 18
    Approximating Many-Body Induction to Efficiently Describe Molecular Liquids and Clusters With Improved Accuracy
    by Jacobson, Leif David
    Published 2011
    Subjects: “...SAPT...”
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  19. 19
    Accurate and Efficient Quantum Chemistry Calculations for Noncovalent Interactions in Many-Body Systems
    by Lao, Ka Un
    Published 2016
    Subjects: “...SAPT...”
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  20. 20
    Revealing Intra-and Intermolecular Interactions Determining Physico-Chemical Features of Selected Quinolone Carboxylic Acid Derivatives
    Subjects: “...SAPT...”
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    Article
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