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Molecules | Free Full-Text | Molecular Structure, Electronic Properties, Reactivity (ELF, LOL, and Fukui), and NCI-RDG Studies of the Binary Mixture of Water and Essential Oil of Phlomis bruguieri
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Electron density, ELF and LOL diagrams of the halide ion complexes. | Download Scientific Diagram
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Synthesis, Spectroscopic (FT-IR, FT-Raman, NMR), Reactivity (ELF, LO
Mechanistic elucidation of Diels–Alder cycloaddition reactions between quinoflavonoid and substituted butadiene using LOL, ELF, QTAIM, and DFT studies | SpringerLink
Molecules | Free Full-Text | Molecular Structure, Electronic Properties, Reactivity (ELF, LOL, and Fukui), and NCI-RDG Studies of the Binary Mixture of Water and Essential Oil of Phlomis bruguieri
LOL (Localized orbital locator) of 5TDOP (Fig. a for electronegative... | Download Scientific Diagram
The color-filled localized orbital locator (LOL) maps for... | Download Scientific Diagram
Molecular modeling investigation of adsorption of Zolinza drug on surfaces of the B12N12 and Al12N12 nanocages | SpringerLink
Exploring the antibacterial activity of 1, 2 diaminoethane hexanedionic acid by spectroscopic, electronic, ELF, LOL, RDG analysis and molecular docking studies using DFT method - ScienceDirect
a) LOL‐π isosurfaces of simplified Ph‐COF‐AO, Th‐COF‐AO and TTh‐COF‐AO... | Download Scientific Diagram
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Complexation behaviour of piceatannol ligand with Ti(IV) and Zr(IV) metal ions: a combined DFT and deep learning investigation | Structural Chemistry
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Molecular docking studies, natural bond orbital, charge transfer excitation, NLO, ELF, LOL, and drug likeness analysis on Cefixime: a potential anti-bacterial effective - Science Academique
Molecules | Free Full-Text | Molecular Structure, Electronic Properties, Reactivity (ELF, LOL, and Fukui), and NCI-RDG Studies of the Binary Mixture of Water and Essential Oil of Phlomis bruguieri