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Density functional theory (DFT) (29)
SDG-03: Good health and well-being (29)
SDG-06: Clean water and sanitation (21)
Crystal structure (18)
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SDG-09: Industry, innovation and infrastructure (13)
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Gas chromatography (10)
Polycyclic aromatic hydrocarbon (PAH) (10)
Polydimethylsiloxane (PDMS) (10)
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Quantum theory of atoms in molecules (QTAIM) (9)
SDG-07: Affordable and clean energy (9)
X-ray diffraction (XRD) (9)
Fischer carbene complexes (8)
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Scanning electron microscopy (SEM) (8)
Natural products (7)
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Single-crystal X-ray study (7)
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Computational chemistry (6)
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Density functionals (6)
Interacting quantum atoms (IQA) (6)
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Microplastics (6)
Molecular structure (6)
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SDG-02: Zero hunger (6)
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Denuder (5)
DFT (5)
DFT calculations (5)
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Fragment attributed molecular system energy change (FAMSEC) (5)
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List of the atoms (5)
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Polybrominated diphenyl ether (PBDE) (5)
Polycyclic aromatic hydrocarbons (5)
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Raman spectroscopy (5)
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T = 293 K (5)
Tungsten (5)
Africa (4)
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Carbenes (Methylene compounds) (4)
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CO2 hydrogenation (4)
Cu(II) (4)
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Electrochemical impedance spectroscopy (4)
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Fourier transform infrared spectroscopy (FTIR) (4)
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Manganese (4)
Mean (C–C) = 0.003 A° (4)
Metabolomics (4)
Molecular docking (4)
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Nickel (Ni) (4)
Non-invasive sampling (4)
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Rhodium (4)
SDG-13: Climate action (4)
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X-ray photoelectron spectroscopy (XPS) (4)
Alzheimer's disease (3)