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Electrifying the UNSDGs with microbial power. [PDF]
Solleti SKK +3 more
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Stimulating the Lewis acidity of Pt-O-Co bridges <i>via</i> vacancy engineering for efficient hydrogen evolution in seawater. [PDF]
Gao M +10 more
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Defect-induced electric field effects direct Fenton-like oxidation pathways towards polymerization for sustainable water treatment. [PDF]
Liu B +8 more
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Bridged diheteroaryl-vinylene scaffolds as novel non-fullerene acceptors: a theoretical approach. [PDF]
Garo J +3 more
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Exploring the sensing properties of Janus ScSTe, TiSTe, and ZrSTe nanosheets for nitrogen based toxic gases via DFT. [PDF]
Shawon MJI +4 more
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Back to the Seabed: The Unique Photosystem I Architecture of the Seagrass Posidonia oceanica
Bassi R +11 more
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Tetrahedron, 2017
Abstract The key role of the Global Electron Density Transfer (GEDT) in polar cycloaddition reactions is analysed within the Molecular Electron Density Theory (MEDT) using Density Functional Theory (DFT) calculations at the MPWB1K/6-311G(d) computational level. A comparative MEDT study of the non-polar Diels-Alder reaction between cyclopentadiene (Cp)
Luis R. Domingo +2 more
openaire +1 more source
Abstract The key role of the Global Electron Density Transfer (GEDT) in polar cycloaddition reactions is analysed within the Molecular Electron Density Theory (MEDT) using Density Functional Theory (DFT) calculations at the MPWB1K/6-311G(d) computational level. A comparative MEDT study of the non-polar Diels-Alder reaction between cyclopentadiene (Cp)
Luis R. Domingo +2 more
openaire +1 more source

