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71 ta ish

Ish: Noncovalent interactions in N-methylurea crystalline hydrates

  1. Multiwfn: A multifunctional wavefunction analyzer

    Tian Lu, Feiwu Chen

    Maqola2011110 iqtibos
    ABI

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

    Isabel Rozas, Ibón Alkorta, José Elguero

    Maqola200016 iqtibos
    ABI

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

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

    Maqola200515 iqtibos
    ABI

  4. Atoms in molecules

    R. F. W. Bader

    Maqola198514 iqtibos
    ABI

  5. Atoms in Molecules

    Richard F. W. Bader

    Kitob199011 iqtibos
    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

    Maqola20209 iqtibos
    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

    Maqola20229 iqtibos
    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

    Maqola20218 iqtibos
    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

    Maqola20214 iqtibos
    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

    Maqola20224 iqtibos
    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

    Maqola20213 iqtibos
    ABI

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

    Sofian Gatfaoui, Noureddine Issaoui, Thierry Roisnel +1

    Maqola20193 iqtibos
    ABI

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

    Giuseppe Calvaruso, Angela Ruggirello, Vincenzo Turco Liveri

    Maqola20023 iqtibos
    ABI

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

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

    Maqola20203 iqtibos
    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

    Maqola20213 iqtibos
    ABI

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

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

    Maqola20213 iqtibos
    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

    Maqola20223 iqtibos
    ABI

  18. The Weak Hydrogen Bond

    Gautam R. Desiraju, Thomas Steiner

    Kitob20012 iqtibos
    ABI

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

    Abhishek Mandal, Muthuramalingam Prakash, Ravva Mahesh Kumar +2

    Maqola20102 iqtibos
    ABI

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

    Mingli Yang, Patrick Senet, Christian Van Alsenoy

    Maqola20042 iqtibos
    ABI

  21. The Properties of Organic Compounds in Molecular Clusters

    R. G. Keesee, A. W. Castleman

    Maqola19892 iqtibos
    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

    Maqola20092 iqtibos
    ABI

  23. Alkylated ureas: mineralization and evaluation as N sources

    Praveen‐Kumar, R. Brumme

    Maqola19952 iqtibos
    ABI

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

    Pere Miró, Christopher J. Cramer

    Maqola20122 iqtibos
    ABI

  25. Perspective: How good is DFT for water?

    Michael J. Gillan, Dario Alfè, Angelos Michaelides

    Maqola20162 iqtibos
    ABI