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Résultat(s) 1 - 20 résultats de 56 pour la requête '"noncovalent interactions"', Temps de recherche: 5,44s Affiner les résultats
  1. 1
    Does Basis Set Superposition Error Significantly Affect Post-CCSD(T) Corrections?
    Sujets: “...misc noncovalent interactions...”

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  2. 2
    β-D-Glucopyranose-silver+ (1:1) complex as a small gas molecule scavenger
    Sujets: “...misc noncovalent interaction...”

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  3. 3
    Asymmetric Electron Redistribution in Niobic-Oxygen Vacancy Associates to Tune Noncovalent Interaction in CO2 Photoreduction
    Sujets: “...misc noncovalent interaction...”

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  4. 4
    A variant on the CREST iMTD algorithm for noncovalent clusters of flexible molecules
    Sujets: “...misc noncovalent interactions...”

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  5. 5
    Spin-Lifetime Probe for Detecting Intramolecular Noncovalent Interaction in Organic Semiconductors
    Sujets: “...misc intramolecular noncovalent interaction...”

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  6. 6
    Dynamic Transition between Monomer and Excimer Phosphorescence in Organic Near-Infrared Phosphorescent Crystals
    Sujets: “...misc noncovalent interactions...”

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  7. 7
    How do spin-scaled double hybrids designed for excitation energies perform for noncovalent excited-state interactions? An investigation on aromatic excimer models
    Sujets: “...misc noncovalent interaction in excited states...”

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  8. 8
    Gas-phase thermochemistry of noncovalent ligand-alkali metal ion clusters An impact of low frequencies
    Sujets: “...misc cationic noncovalent interactions...”

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  9. 9
    Hydrogen bonds of OCNH motif in rings in drugs A molecular electrostatic potential analysis
    Sujets: “...misc noncovalent interactions...”

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  10. 10
    Binding propensity and selectivity of cationic, anionic, and neutral guests with model hydrophobic hosts A first principles study
    Sujets: “...misc noncovalent interactions...”

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  11. 11
    Interaction energy of Cl2 and Br2 with H2 O Exchange, dispersion and density the crucial ingredients
    Sujets: “...misc noncovalent interactions...”

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  12. 12
    Computational mechanistic studies on persulfate assisted p-phenylenediamine polymerization
    Sujets: “...misc noncovalent interaction...”

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  13. 13
    Amino-Acid-Encoded Supramolecular Photothermal Nanomedicine for Enhanced Cancer Therapy
    Sujets: “...misc noncovalent interactions...”

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  14. 14
    Independent gradient model based on Hirshfeld partition A new method for visual study of interactions in chemical systems
    par Lu, Tian
    Publié dans: Journal of computational chemistry (2022)
    Sujets: “...misc noncovalent interaction...”

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  15. 15
    Fragmentation of natural orbital occupation numbers-based diagnostic of differential multireference character in complexes with hydrogen bonds
    Sujets: “...misc noncovalent interactions...”

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  16. 16
    The competition and cooperativity of hydrogen/halogen bond and π-hole bond involving the heteronuclear ethylene analogues
    Sujets: “...misc noncovalent interaction...”

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  17. 17
    Chalcogen bonds Hierarchical ab initio benchmark and density functional theory performance study
    Sujets: “...misc noncovalent interactions...”

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  18. 18
    Importance of model size in quantum mechanical studies of DNA intercalation
    Sujets: “...misc noncovalent interactions...”

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  19. 19
    Domain-based local pair natural orbital methods within the correlation consistent composite approach
    Sujets: “...misc noncovalent interactions...”

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  20. 20
    Toward a less costly but accurate calculation of the CCSD(T)/CBS noncovalent interaction energy
    Sujets: “...misc noncovalent interaction energy...”

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