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Natural bond orbital
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Current data, viewed at
Yearly
resolution.
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Keyword
keyword
Natural bond orbital
RIS
0.004
(Research Intensity Score)
Papers
457
Top papers
Creating Optimal Pockets in a Clathrochelate-Based Metal–Organic Framework for Gas Adsorption and Separation: Experimental and Computational Studies
2022 · 172 citations
Supramolecular clumps of μ2-1,3-acetate bridges of Cd(II)-Salen complex: Synthesis, spectroscopic characterization, crystal structure, DFT quantization's, and antifungal photodynamic therapy
2024 · 50 citations
Schiff bases from chlorine substituted anilines and salicylaldehyde: Synthesis, characterization, fluorescence, thermal features, biological studies and electronic structure investigations
2022 · 90 citations
Coupling Piezocatalysis and Photocatalysis in Bi 4 NbO 8 X (X = Cl, Br) Polar Single Crystals
2019 · 371 citations
Insight of development of two cured epoxy polymer composite coatings as highly protective efficiency for carbon steel in sodium chloride solution: DFT, RDF, FFV and MD approaches
2022 · 98 citations
Newest papers
Ligand-enabled next-generation glycosyl Stille cross-coupling for the stereospecific synthesis of sterically hindered aryl C-glycosides
2026 · 3 citations
SMILES all around: structure to SMILES conversion for transition metal complexes
2025 · 27 citations
Correlation of physicochemical properties with antioxidant activity in phenol and thiophenol analogues
2025 · 24 citations
Harnessing the synergistic effects of fabricated novel NBO/PANI nanocomposite for asymmetric supercapacitor with remarkable electrochemical performance
2025 · 21 citations
Monocyclic Bis( N -nitramine) Triazole: A High-Density Energetic Material with Exceptionally Weak N–N Bond
2025 · 16 citations
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