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Работы, на которые ссылается эта работа

Работ: 83

Работа: Types of noncovalent bonds within complexes of thiazole with CF<sub>4</sub> and SiF<sub>4</sub>

  1. Multiwfn: A multifunctional wavefunction analyzer

    Tian Lu, Feiwu Chen

    Статья2011Цитирований: 110
    ABI

  2. VMD: Visual molecular dynamics

    William Humphrey, Andrew Dalke, Klaus Schulten

    Статья1996Цитирований: 77
    ABI

  3. A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

    Stefan Grimme, Jens Antony, Stephan Ehrlich +1

    Статья2010Цитирований: 57
    ABI

  4. 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

    Статья2007Цитирований: 29
    ABI

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

    Samuel Francis Boys, Fernando Bernardi

    Статья1970Цитирований: 25
    ABI

  6. 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

    Статья2013Цитирований: 17
    ABI

  7. 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

    Статья2005Цитирований: 15
    ABI

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

    A. Daniel Boese

    Статья2015Цитирований: 13
    ABI

  9. Atoms in Molecules

    Richard F. W. Bader

    Книга1990Цитирований: 11
    ABI

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

    Steve Scheiner, Jia Lu

    Статья2018Цитирований: 8
    ABI

  11. The Halogen Bond

    Gabriella Cavallo, Pierangelo Metrangolo, Roberto Milani +4

    Обзорная статья2016Цитирований: 8
    ABI

  12. Hydrogen Bonding in Biological Structures

    George A. Jeffrey, Wolfram Saenger

    Книга1991Цитирований: 7
    ABI

  13. The Nature of the Hydrogen Bond

    Gastone Gilli, P. Gilli

    Книга2009Цитирований: 7
    ABI

  14. 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

    Статья2011Цитирований: 6
    ABI

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

    Steve Scheiner, Sarah Hunter

    Статья2022Цитирований: 6
    ABI

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

    Sławomir J. Grabowski

    Статья2011Цитирований: 6
    ABI

  17. 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

    Статья2020Цитирований: 6
    ABI

  18. 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

    Статья1986Цитирований: 5
    ABI

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

    Upendra Adhikari, Steve Scheiner

    Статья2012Цитирований: 5
    ABI

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

    Jindřich Fanfrlík, Adam Přáda, Z. Padělková +7

    Статья2014Цитирований: 5
    ABI

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

    Steve Scheiner

    Статья2012Цитирований: 5
    ABI

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

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

    Статья2012Цитирований: 5
    ABI

  23. 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

    Статья2021Цитирований: 5
    ABI

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

    Marcin Palusiak, Sławomir J. Grabowski

    Статья2007Цитирований: 5
    ABI

  25. Definition of the tetrel bond

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

    Статья2023Цитирований: 5
    ABI