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Showing 21 - 40 results of 202 for search '"Quantum Theory of Atoms in Molecules"', query time: 2.51s Refine Results
  1. 21
    An ab initio and density functional theory study on neutral pterin radicals
    by Reibnegger Gilbert
    Published 2015-12-01
    Subjects: “...quantum theory of atoms in molecules...”
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    Article
  2. 22
    First-Principles Study of the Stabilization and Mechanical Properties of Rare-Earth Ferritic Perovskites (RFeO<sub>3</sub>, R = La, Eu, Gd)
    Subjects: “...quantum theory of atoms in molecules...”
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    Article
  3. 23
    Unravelling the Chemistry of the [Cu(4,7-Dichloroquinoline)<sub>2</sub>Br<sub>2</sub>]<sub>2</sub> Dimeric Complex through Structural Analysis: A Borderline Ligand Field Case
    Subjects: “...quantum theory of atoms in molecules...”
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    Article
  4. 24
    Triel Bonds, π-Hole-π-Electrons Interactions in Complexes of Boron and Aluminium Trihalides and Trihydrides with Acetylene and Ethylene
    by Sławomir J. Grabowski
    Published 2015-06-01
    Subjects: “...Quantum Theory of “Atoms in Molecules”...”
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    Article
  5. 25
    [FHF]−—The Strongest Hydrogen Bond under the Influence of External Interactions
    by Sławomir J. Grabowski
    Published 2015-12-01
    Subjects: “...Quantum Theory of Atoms in Molecules...”
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    Article
  6. 26
    Lewis Acid Properties of Tetrel Tetrafluorides—The Coincidence of the σ-Hole Concept with the QTAIM Approach
    by Sławomir J. Grabowski
    Published 2017-02-01
    Subjects: “...Quantum Theory of “Atoms in Molecules”...”
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    Article
  7. 27
    Exploring the nature of the interactions between the molecules of the sodium dodecyl sulfate and water in crystal phases and in the water/vacuum interface
    Subjects: “...Quantum theory of atoms in molecules...”
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    Article
  8. 28
    From X-ray diffraction data annealing to comprehensive charge density analysis
    by Hey, Jakob
    Published 2013
    Subjects: “...Quantum theory of atoms in molecules...”
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    Doctoral Thesis
  9. 29
    On atom–atom `short contact' bonding interactions in crystals
    by Claude Lecomte, Enrique Espinosa, Cherif F. Matta
    Published 2015-03-01
    Subjects: “...quantum theory of atoms in molecules (QTAIM)...”
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    Article
  10. 30
    High Resolution X-ray Diffraction Analysis of CB1 Receptor Antagonists as a Means to Explore Binding Affinity
    by Fournet, Steven P.
    Published 2013
    Subjects: “...Quantum Theory of Atoms in Molecules...”
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  11. 31
    Structural characterization of hydrogen bonding for antipyrine derivatives: Single-crystal X-ray diffraction and theoretical studies
    Subjects: “...density functional theory (dft) and quantum theory of atoms in molecules (qtaim) calculations...”
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    Article
  12. 32
    Novas investigações de propriedades elétricas realizadas por meio da teoria quântica de átomos em moléculas
    by Luiz Alberto Terrabuio
    Published 2017
    Subjects: “... Quantum Theory of Atoms and Molecules ...”
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  13. 33
    Novas investigações de propriedades elétricas realizadas por meio da teoria quântica de átomos em moléculas
    by Terrabuio, Luiz Alberto
    Published 2017
    Subjects: “...Quantum Theory of Atoms and Molecules...”
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    Others
  14. 34
    Experimental Electron Density Determination of Unconventionally Bonded Boron
    by Flierler, Ulrike
    Published 2009
    Subjects: “...quantum theory of atoms in molecules...”
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    Doctoral Thesis
  15. 35
    Theoretical study of encapsulation of diethylstilbestrol drug into the inner surface of BNNT toward designing a new nanocarrier for drug delivery systems
    Subjects: “...Quantum Theory of Atoms in Molecules...”
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    Article
  16. 36
    Elucidation of Unconventional Bonding in Lithium Organic Compounds
    by Ott, Holger
    Published 2009
    Subjects: “...Quantum Theory of Atoms in Molecules...”
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    Get full text
    Doctoral Thesis
  17. 37
    Uma comprovação químico-quântica sobre a formação de ligações de hidrogênio e interações secundárias em sistemas heterocíclicos intermoleculares
    “... Moléculas (QTAIM – Quantum Theory of Atoms in Molecules), foi observada a formação de ligações de hidrogênio...”
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    Article
  18. 38
    Molecular Hydrogen as a Lewis Base in Hydrogen Bonds and Other Interactions
    by Sławomir J. Grabowski
    Published 2020-07-01
    “... applied to describe these interactions: Quantum Theory of ’Atoms in Molecules´, Natural Bond Orbital...”
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    Article
  19. 39
    O ESTADO DA ARTE DA LIGAÇÃO DE HIDROGÊNIO
    by Boaz G. Oliveira
    Published 2015-12-01
    “... of the quantum theory of atoms in molecules (QTAIM) as well as evaluated by the symmetry-adapted perturbation...”
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    Article
  20. 40
    ESTUDIO COMPUTACIONAL DE LA INTERACCIÓN N∙∙∙C EN SISTEMAS MOLECULARES (R)NN-CO2 (N=1,2,3)
    “... were computationally studied by using ab-initio methods and quantum theory of atoms in molecules (QTAIM...”
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    Article
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