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Ish: Effects of Halogen Bond, Hydrogen Bond, and π‐Tetrel Bond on the Internal CC Bond of Halogenated Ethylene

  1. Multiwfn: A multifunctional wavefunction analyzer

    Tian Lu, Feiwu Chen

    Maqola2011135 iqtibos
    ABI

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

    Samuel Francis Boys, Fernando Bernardi

    Maqola197030 iqtibos
    ABI

  3. 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

    MaqolaOchiq kirish200730 iqtibos
    ABI

  4. Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy

    Florian Weigend, Reinhart Ahlrichs

    Maqola200519 iqtibos
    ABI

  5. 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

    Maqola201317 iqtibos
    ABI

  6. Atoms in Molecules

    Richard F. W. Bader

    Kitob199015 iqtibos
    ABI

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

    A. Daniel Boese

    Maqola201513 iqtibos
    ABI

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

    Rafał Podeszwa, Krzysztof Szalewicz

    MaqolaOchiq kirish201211 iqtibos
    ABI

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

    S. Karthikeyan, V. Ramanathan, Brijesh Kumar Mishra

    Maqola201311 iqtibos
    ABI

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

    Laszlo Fusti Molnar, Xiao He, Bing Wang +1

    MaqolaOchiq kirish200910 iqtibos
    ABI

  11. 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

    Maqola201110 iqtibos
    ABI

  12. 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

    Maqola201710 iqtibos
    ABI

  13. Natural population analysis

    Alan E. Reed, Robert B. Weinstock, Frank Weinhold

    Maqola198510 iqtibos
    ABI

  14. The Halogen Bond

    Gabriella Cavallo, Pierangelo Metrangolo, Roberto Milani +4

    Sharh maqola20169 iqtibos
    ABI

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

    Steve Scheiner, Jia Lu

    Maqola20188 iqtibos
    ABI

  16. Hydrogen Bonding in Biological Structures

    George A. Jeffrey, Wolfram Saenger

    Kitob19917 iqtibos
    ABI

  17. The Nature of the Hydrogen Bond

    Gastone Gilli, P. Gilli

    Kitob20097 iqtibos
    ABI

  18. Hydrogen Bonding

    Steve Scheiner

    Kitob19977 iqtibos
    ABI

  19. Toward Selection of Efficient Density Functionals for van der Waals Molecular Complexes: Comparative Study of C–H···π and N–H···π Interactions

    Guvanchmyrat Paytakov, T. C. Dinadayalane, Jerzy Leszczyński

    Maqola20156 iqtibos
    ABI

  20. Effect of adjoining aromatic ring upon excited state proton transfer, o-hydroxybenzaldehyde

    Martin Čuma, Steve Scheiner, Tapas Kar

    Maqola19995 iqtibos
    ABI

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

    Wenbo Dong, Qingzhong Li, Steve Scheiner

    MaqolaOchiq kirish20185 iqtibos
    ABI

  22. Definition of the tetrel bond

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

    Maqola20235 iqtibos
    ABI

  23. CH–π hydrogen bonds in biological macromolecules

    Motohiro Nishio, Yōji Umezawa, Jacques Fantini +2

    Maqola20145 iqtibos
    ABI

  24. σ-Holes, π-holes and electrostatically-driven interactions

    Jane S. Murray, Pat Lane, Timothy Clark +2

    Maqola20114 iqtibos
    ABI

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

    Sławomir J. Grabowski

    Maqola20134 iqtibos
    ABI