One step comparative study by Hirshfeld surface analysis, energy frameworks and DFTof hybrid organic-inorganic phosphate

Authors

  • Abdellatif Rafik Laboratory of Organic Chemistry, Catalysis and Environment Faculty of Sciences, Ibn Tofail University, Laboratory of Chemistry of Materials and Biotechnology of Natural Products University Moulay Ismail, Faculty of Sciences
  • Hafid Zouihri Laboratory of Organic Chemistry, Catalysis and Environment Faculty of Sciences, Ibn Tofail University, Laboratory of Chemistry of Materials and Biotechnology of Natural Products University Moulay Ismail, Faculty of Sciences
  • Taoufiq Guedira Laboratory of Organic Chemistry, Catalysis and Environment Faculty of Sciences, Ibn Tofail University, Laboratory of Chemistry of Materials and Biotechnology of Natural Products University Moulay Ismail, Faculty of Sciences

Keywords:

Hartree-Fock, Dos, hydrogen bonding, HOMO, LUMO, Hirschfeld surfaces

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Published

2023-01-31