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An ab initio molecular dynamics analysis of lignin as a potential antioxidant for hydrocarbons - ScienceDirect
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a) HOMO-LUMO gap with respect to number of oxygen atoms of nanocrytals... | Download Scientific Diagram
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A comparison of HOMO−LUMO levels and electrochemical HOMO−LUMO gaps for... | Download Scientific Diagram
Influence of phenylpropanoid units of lignin and its oxidized derivatives on the stability and βO4 binding properties: DFT and QTAIM approach - Organic & Biomolecular Chemistry (RSC Publishing)
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HOMO and LUMO energy levels (in eV) and HOMO/LUMO energy gap (E g ) of... | Download Scientific Diagram
The HOMO-LUMO gap decreases with increased chain length n in oligomers. | Download Scientific Diagram
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HOMO, LUMO energy levels, and band gaps of polymers (exp represents the... | Download Scientific Diagram
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HOMO and LUMO density surfaces, and HOMO-LUMO energy gaps (HLgap) of... | Download Scientific Diagram
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PDF] Characteristics of HOMO and LUMO Potentials by Altering Substituents: Computational and Electrochemical Determination | Semantic Scholar
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PDF] Fragmentation of structural units of lignin promoted by persulfate through selective C–C cleavage under mild conditions | Semantic Scholar
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DFT-optimized Frontier molecular orbitals and HOMO-LUMO energy gaps for... | Download Scientific Diagram
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The calculated HOMO-LUMO energy (a.u.) and HOMO-LUMO band gap Eg values... | Download Scientific Diagram
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