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Published in 2021 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.26507
Abstract: We applied a set of advanced bonding descriptors to establish the hidden electron density features and binding energy characteristics of intermolecular DH∙∙∙A hydrogen bonds (OH∙∙∙O, NH∙∙∙O and SH∙∙∙O) in 150 isolated and solvated molecular complexes.…
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Keywords:
electron exchange;
hydrogen;
molecular complexes;
exchange ... See more keywords
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Published in 2017 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.7b08516
Abstract: Compared with conventional graphene, few-layer graphene is an easy-to-use material because of its interesting mechanical and chemical properties. Meanwhile, solution plasma (SP) represents a nonequilibrium discharge, which induces electron exchange similar to a catalyst. Thus,…
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Keywords:
electron exchange;
graphite flakes;
graphene;
solution ... See more keywords
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Published in 2021 at "Nano Letters"
DOI: 10.1021/acs.nanolett.1c00183
Abstract: Chiral induced spin selectivity is a phenomenon that has been attributed to chirality, spin–orbit interactions, and nonequilibrium conditions, while the role of electron exchange and correlations have been investigated only marginally until very recently. However,…
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Keywords:
electron exchange;
chiral molecules;
charge redistribution;
spin ... See more keywords
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Published in 2022 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.1c12986
Abstract: Merging existing catalysts together as a cascade catalyst may achieve "one-pot" synthesis of complex but functional molecules by simplifying multistep reactions, which is the blueprint of sustainable chemistry with low pollutant emission and consumption of…
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Keywords:
cascade;
exchange;
moc;
electron exchange ... See more keywords
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Published in 2020 at "Physics of Plasmas"
DOI: 10.1063/1.5144761
Abstract: We describe the propagation of arbitrary amplitude ion acoustic waves with electron exchange-correlation effects for two-dimensional quantum plasmas by using the quantum hydrodynamic model. The evolution of nonlinear waves in such plasmas is described by…
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Keywords:
electron exchange;
acoustic waves;
quantum plasmas;
ion acoustic ... See more keywords
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Published in 2020 at "Physica Scripta"
DOI: 10.1088/1402-4896/ab69b8
Abstract: The propagation of surface waves in semi-bounded quantum collisional plasmas are investigated by taking into account the quantum Bohm potential, Fermi statistical pressure, electron exchange-correlation effects and collisional effects. The modified quantum hydrodynamic (QHD) model…
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Keywords:
electron exchange;
plasmas;
surface waves;
surface ... See more keywords