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Иш: Comparison of the Ability of N‐Bases to Engage in Noncovalent Bonds

  1. Multiwfn: A multifunctional wavefunction analyzer

    Tian Lu, Feiwu Chen

    Мақола2011110 иқтибос
    ABI

  2. The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals

    Yan Zhao, Donald G. Truhlar

    Мақола200729 иқтибос
    ABI

  3. The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

    Samuel Francis Boys, Fernando Bernardi

    Мақола197025 иқтибос
    ABI

  4. Performance of M06, M06-2X, and M06-HF Density Functionals for Conformationally Flexible Anionic Clusters: M06 Functionals Perform Better than B3LYP for a Model System with Dispersion and Ionic Hydrogen-Bonding Interactions

    Martin Walker, Andrew J. A. Harvey, Ananya Sen +1

    Мақола201317 иқтибос
    ABI

  5. Density Functional Theory and Hydrogen Bonds: Are We There Yet?

    A. Daniel Boese

    Мақола201513 иқтибос
    ABI

  6. Communication: Density functional theory overcomes the failure of predicting intermolecular interaction energies

    Rafał Podeszwa, Krzysztof Szalewicz

    Мақола201211 иқтибос
    ABI

  7. Influence of the Substituents on the CH...π Interaction: Benzene–Methane Complex

    S. Karthikeyan, V. Ramanathan, Brijesh Kumar Mishra

    Мақола201311 иқтибос
    ABI

  8. Halogen, Chalcogen, and Pnicogen Bonding Involving Hypervalent Atoms

    Steve Scheiner, Jia Lu

    Мақола20188 иқтибос
    ABI

  9. Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint

    Alan E. Reed, Larry A. Curtiss, Frank Weinhold

    Шарҳ мақола19888 иқтибос
    ABI

  10. The Halogen Bond

    Gabriella Cavallo, Pierangelo Metrangolo, Roberto Milani +4

    Шарҳ мақола20168 иқтибос
    ABI

  11. Hydrogen Bonding in Biological Structures

    George A. Jeffrey, Wolfram Saenger

    Китоб19917 иқтибос
    ABI

  12. The Nature of the Hydrogen Bond

    Gastone Gilli, P. Gilli

    Китоб20097 иқтибос
    ABI

  13. Structures, Energies, Bonding, and NMR Properties of Pnicogen Complexes H<sub>2</sub>XP:NXH<sub>2</sub>(X ═ H, CH<sub>3</sub>, NH<sub>2</sub>, OH, F, Cl)

    Janet E. Del Bene, Ibón Alkorta, Goar Sánchez‐Sanz +1

    Мақола20116 иқтибос
    ABI

  14. Influence of Substituents in the Benzene Ring on the Halogen Bond of Iodobenzene with Ammonia

    Steve Scheiner, Sarah Hunter

    Мақола20226 иқтибос
    ABI

  15. Halogen Bond and Its Counterparts: Bent’s Rule Explains the Formation of Nonbonding Interactions

    Sławomir J. Grabowski

    Мақола20116 иқтибос
    ABI

  16. Halogen bonding: the σ-hole

    Timothy Clark, Matthias Hennemann, Jane S. Murray +1

    Мақола20065 иқтибос
    ABI

  17. Natural bond orbital analysis of molecular interactions: Theoretical studies of binary complexes of HF, H2O, NH3, N2, O2, F2, CO, and CO2 with HF, H2O, and NH3

    Alan E. Reed, Frank Weinhold, Larry A. Curtiss +1

    Мақола19865 иқтибос
    ABI

  18. The Dominant Role of Chalcogen Bonding in the Crystal Packing of 2D/3D Aromatics

    Jindřich Fanfrlík, Adam Přáda, Z. Padělková +7

    Мақола20145 иқтибос
    ABI

  19. Sensitivity of noncovalent bonds to intermolecular separation: hydrogen, halogen, chalcogen, and pnicogen bonds

    Steve Scheiner

    Мақола20125 иқтибос
    ABI

  20. Pnicogen–π complexes: theoretical study and biological implications

    Antonio Bauzá, David Quiñonero, Pere M. Deyà +1

    Мақола20125 иқтибос
    ABI

  21. On the Importance of Halogen Bonding Interactions in Two X-ray Structures Containing All Four (F, Cl, Br, I) Halogen Atoms

    Dmitriy F. Mertsalov, Rosa M. Gomila, Vladimir P. Zaytsev +4

    Мақола20215 иқтибос
    ABI

  22. Do intramolecular halogen bonds exist? Ab initio calculations and crystal structures’ evidences

    Marcin Palusiak, Sławomir J. Grabowski

    Мақола20075 иқтибос
    ABI

  23. The Halogen Bond in Weakly Bonded Complexes and the Consequences for Aromaticity and Spin-Orbit Coupling

    Ana V. Cunha, Remco W. A. Havenith, Jari van Gog +3

    Мақола20235 иқтибос
    ABI

  24. Definition of the tetrel bond

    Pradeep R. Varadwaj, Arpita Varadwaj, Helder M. Marques +1

    Мақола20235 иқтибос
    ABI

  25. Probing the structures, binding energies, and spin-spin coupling constants of halogen-bonded Azine:ClF complexes

    Janet E. Del Bene, Ibón Alkorta, José Elguero

    Мақола20204 иқтибос
    ABI