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Иш: Halogen Bonding to the π‐Systems of Polycyclic Aromatics

  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. Hydrogen Bonding—New Insights

    Sławomir J. Grabowski

    Китоб200611 иқтибос
    ABI

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

    Rafał Podeszwa, Krzysztof Szalewicz

    Мақола201211 иқтибос
    ABI

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

    S. Karthikeyan, V. Ramanathan, Brijesh Kumar Mishra

    Мақола201311 иқтибос
    ABI

  9. Further analysis and comparative study of intermolecular interactions using dimers from the S22 database

    Laszlo Fusti Molnar, Xiao He, Bing Wang +1

    Мақола200910 иқтибос
    ABI

  10. The structure and interaction energies of the weak complexes of CHClF2 and CHF3 with HCCH: a test of density functional theory methods

    Mark A. Vincent, Ian H. Hillier

    Мақола201110 иқтибос
    ABI

  11. Can DFT and ab initio methods adequately describe binding energies in strongly interacting C6X6⋯C2X π–π complexes?

    Berthelot Saïd Duvalier Ramlina Vamhindi, Amir Karton

    Мақола201710 иқтибос
    ABI

  12. Сарлавҳасиз

    Бошқа8 иқтибос
    ABI

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

    Steve Scheiner, Jia Lu

    Мақола20188 иқтибос
    ABI

  14. OH<b><i>·</i></b><b><i>·</i></b><b><i>·</i></b>X (X = O, S) hydrogen bonding in thetrahydrofuran and tetrahydrothiophene

    Himansu S. Biswal, Sanjay Wategaonkar

    Мақола20116 иқтибос
    ABI

  15. 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

  16. Definition of the hydrogen bond (IUPAC Recommendations 2011)

    E. Arunan, Gautam R. Desiraju, Roger A. Klein +11

    Мақола20116 иқтибос
    ABI

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

    Steve Scheiner, Sarah Hunter

    Мақола20226 иқтибос
    ABI

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

    Sławomir J. Grabowski

    Мақола20116 иқтибос
    ABI

  19. P <scp>SI4</scp> 1.4: Open-source software for high-throughput quantum chemistry

    Daniel G. A. Smith, Lori A. Burns, Andrew C. Simmonett +32

    Мақола20206 иқтибос
    ABI

  20. Comparative Strengths of Tetrel, Pnicogen, Chalcogen, and Halogen Bonds and Contributing Factors

    Wenbo Dong, Qingzhong Li, Steve Scheiner

    Мақола20185 иқтибос
    ABI

  21. The Prodigious Hydrogen Bonds with Sulfur and Selenium in Molecular Assemblies, Structural Biology, and Functional Materials

    Apramita Chand, Dipak Kumar Sahoo, Abhijit Rana +2

    Мақола20205 иқтибос
    ABI

  22. Effects of carbon chain substituents on the P⋯N noncovalent bond

    Upendra Adhikari, Steve Scheiner

    Мақола20125 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. Tetrel bond–σ-hole bond as a preliminary stage of the S<sub>N</sub>2 reaction

    Sławomir J. Grabowski

    Мақола20134 иқтибос
    ABI

  25. Intermolecular MH···HR Bonding in Monohydride Mo and W Complexes

    Galina Orlova, Steve Scheiner

    Мақола19984 иқтибос
    ABI