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71 та иш

Иш: Noncovalent interactions in N-methylurea crystalline hydrates

  1. Multiwfn: A multifunctional wavefunction analyzer

    Tian Lu, Feiwu Chen

    Мақола2011110 иқтибос
    ABI

  2. Behavior of Ylides Containing N, O, and C Atoms as Hydrogen Bond Acceptors

    Isabel Rozas, Ibón Alkorta, José Elguero

    Мақола200016 иқтибос
    ABI

  3. Hydrogen bonds: relation between lengths and electron densities at bond critical points

    T.-H. Tang, Eugen Deretey, Svend J. Knak Jensen +1

    Мақола200515 иқтибос
    ABI

  4. Atoms in molecules

    R. F. W. Bader

    Мақола198514 иқтибос
    ABI

  5. Atoms in Molecules

    Richard F. W. Bader

    Китоб199011 иқтибос
    ABI

  6. Intermolecular hydrogen bond interactions in the thiourea/water complexes (Thio-(H2O)n) (n = 1, …, 5): X-ray, DFT, NBO, AIM, and RDG analyses

    Feride Akman, Noureddine Issaoui, Аleksandr S. Kazachenko

    Мақола20209 иқтибос
    ABI

  7. Hydrogen bonds interactions in biuret-water clusters: FTIR, X-ray diffraction, AIM, DFT, RDG, ELF, NLO analysis

    Аleksandr S. Kazachenko, Noureddine Issaoui, Abir Sagaama +7

    Мақола20229 иқтибос
    ABI

  8. A New Insight into Non-covalent Interactions in 1,4-Disubstituted 1H-1,2,3-Triazole: Synthesis, X-ray structure, DFT calculations, in vitro Lipoxygenase Inhibition (LOX) and in silico Studies

    Muhammad Naeem Ahmed, Sadia Shabbir, Bakhtawar Batool +6

    Мақола20218 иқтибос
    ABI

  9. Facile synthesis of 4-aryl-N-(5-methyl-1H-pyrazol-3-yl)benzamides via Suzuki Miyaura reaction: Antibacterial activity against clinically isolated NDM-1-positive bacteria and their Docking Studies

    Gulraız Ahmad, Nasır Rasool, Muhammad Usman Qamar +4

    Мақола20214 иқтибос
    ABI

  10. Sulfamic acid/water complexes (SAA-H2O(1-8)) intermolecular hydrogen bond interactions: FTIR,X-ray, DFT and AIM analysis

    Аleksandr S. Kazachenko, Mouna Medimagh, Noureddine Issaoui +6

    Мақола20224 иқтибос
    ABI

  11. Synthesis, single crystal X-ray, spectroscopic and computational (DFT) studies 2,1-benzothiazine based hydrazone derivatives

    Shakeel Ahmad, Tariq Mahmood, Matloob Ahmad +5

    Мақола20213 иқтибос
    ABI

  12. A proton transfer compound template phenylethylamine: Synthesis, a collective experimental and theoretical investigations

    Sofian Gatfaoui, Noureddine Issaoui, Thierry Roisnel +1

    Мақола20193 иқтибос
    ABI

  13. FT-IR Investigation of the N-methylurea State in AOT Reversed Micelles

    Giuseppe Calvaruso, Angela Ruggirello, Vincenzo Turco Liveri

    Мақола20023 иқтибос
    ABI

  14. Theoretical DFT interpretation of infrared spectra of biologically active arabinogalactan sulphated derivatives

    Аleksandr S. Kazachenko, Felix N. Tomilin, Anastasia A. Pozdnyakova +4

    Мақола20203 иқтибос
    ABI

  15. Intermolecular hydrogen bonds interactions in water clusters of ammonium sulfamate: FTIR, X-ray diffraction, AIM, DFT, RDG, ELF, NBO analysis

    Аleksandr S. Kazachenko, Feride Akman, Hafedh Abdelmoulahi +4

    Мақола20213 иқтибос
    ABI

  16. Non covalent interactions and molecular docking studies on morphine compound

    Abir Sagaama, Noureddine Issaoui, Omar M. Al-Dossary +2

    Мақола20213 иқтибос
    ABI

  17. Schiff Bases Derived from 2‐Amino‐6‐methylbenzothiazole, 2‐Amino‐5‐chloropyridine and 4‐Chlorobenzaldehyde: Structure, Computational Studies and Evaluation of Biological Activity

    Muhammad Hanif, Naveen Kosar, Tariq Mahmood +5

    Мақола20223 иқтибос
    ABI

  18. The Weak Hydrogen Bond

    Gautam R. Desiraju, Thomas Steiner

    Китоб20012 иқтибос
    ABI

  19. Ab Initio and DFT Studies on Methanol−Water Clusters

    Abhishek Mandal, Muthuramalingam Prakash, Ravva Mahesh Kumar +2

    Мақола20102 иқтибос
    ABI

  20. DFT study of polarizabilities and dipole moments of water clusters

    Mingli Yang, Patrick Senet, Christian Van Alsenoy

    Мақола20042 иқтибос
    ABI

  21. The Properties of Organic Compounds in Molecular Clusters

    R. G. Keesee, A. W. Castleman

    Мақола19892 иқтибос
    ABI

  22. Water cluster for the simulation of hydration of organic compounds: Applying the DFT method

    Vladimir Yu. Rudyak, V. G. Avakyan, V. B. Nazarov +1

    Мақола20092 иқтибос
    ABI

  23. Alkylated ureas: mineralization and evaluation as N sources

    Praveen‐Kumar, R. Brumme

    Мақола19952 иқтибос
    ABI

  24. Water clusters to nanodrops: a tight-binding density functional study

    Pere Miró, Christopher J. Cramer

    Мақола20122 иқтибос
    ABI

  25. Perspective: How good is DFT for water?

    Michael J. Gillan, Dario Alfè, Angelos Michaelides

    Мақола20162 иқтибос
    ABI