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Résultat(s) 1 - 8 résultats de 8 pour la requête '"symmetry-adapted perturbation theory"', Temps de recherche: 8,39s Affiner les résultats
  1. 1
    Maximal occupation by bases of π-hole bands surrounding linear molecules
    Sujets: “...misc symmetry-adapted perturbation theory...”

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  2. 2
    Interactions of CO2 with cluster models of metal-organic frameworks
    Sujets: “...misc symmetry-adapted perturbation theory...”

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  3. 3
    Exploring Nature and Predicting Strength of Hydrogen Bonds A Correlation Analysis Between Atoms-in-Molecules Descriptors, Binding Energies, and Energy Components of Symmetry-Adapted Perturbation Theory
    Sujets: “...misc symmetry-adapted perturbation theory...”

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  4. 4
    Intramolecular interactions in sterically crowded hydrocarbon molecules
    Sujets: “...misc symmetry-adapted perturbation theory...”

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  5. 5
    Assessment of hydrophobic interactions and their contributions through the analysis of the methane dimer
    Sujets: “...misc symmetry adapted perturbation theory...”

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  6. 6
    Energy decomposition analysis of cation-π, metal ion-lone pair, hydrogen bonded, charge-assisted hydrogen bonded, and π-π interactions
    Sujets: “...misc Symmetry adapted perturbation theory...”

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  7. 7
    Characterization of the potential energy surfaces of two small but challenging noncovalent dimers (P2 )2 and (PCCP)2
    Sujets: “...misc symmetry-adapted perturbation theory...”

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  8. 8
    Interaction between ions and substituted buckybowls a comprehensive computational study
    Sujets: “...misc ab initio calculations Symmetry Adapted Perturbation Theory calculations...”

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