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Published in 2020 at "Advanced Materials Interfaces"
DOI: 10.1002/admi.202001360
Abstract: Electrochemical reduction of oxygen is considered as a new strategy to achieve decentralized preparation of hydrogen peroxide (H2O2) in a green manner. As a promising new type of catalytic material, carbon‐based single‐atom catalysts can achieve…
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Keywords:
two electron;
carbon based;
based single;
atom catalysts ... See more keywords
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Published in 2018 at "European Journal of Inorganic Chemistry"
DOI: 10.1002/ejic.201701209
Abstract: We report the coordination chemistry of indole based tripodal tetraphosphine ligands to iron(II), cobalt(II) and nickel(II). These complexes are formed by simple synthetic protocols and were characterized by a combination of spectroscopic techniques and single‐crystal…
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Keywords:
coordination;
two electron;
chemistry;
geometry ... See more keywords
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Published in 2017 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.25062
Abstract: A significant reduction in the computational effort for the evaluation of the electronic repulsion integrals (ERI) in ab initio quantum chemistry calculations is obtained by using Cholesky decomposition (CD), a numerical procedure that can remove…
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Keywords:
chemistry;
two electron;
orbit coupling;
cholesky decomposition ... See more keywords
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Published in 2022 at "Small"
DOI: 10.1002/smll.202202248
Abstract: Herein, a strategy of synergetic dual-metal-ion centers to boost transition-metal-based metal organic framework (MOF) alloy nanomaterials as active oxygen reduction reaction (ORR) electrocatalysts for efficient hydrogen peroxide (H2 O2 ) generation is proposed. Through a…
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Keywords:
ion centers;
synergetic dual;
metal organic;
two electron ... See more keywords
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Published in 2018 at "Theoretical Chemistry Accounts"
DOI: 10.1007/s00214-018-2362-5
Abstract: AbstractThe radial components of the natural orbitals (NOs) pertaining to the $$^1S_+$$1S+ ground state of the two-electron harmonium atom are found to satisfy homogeneous differential equations at the values of the confinement strength $$\omega $$ω…
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Keywords:
natural orbitals;
ground state;
electron harmonium;
two electron ... See more keywords
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Published in 2020 at "Annals of Physics"
DOI: 10.1016/j.aop.2020.168306
Abstract: Abstract Collinear configurations of the helium-like atomic systems, relevant, e.g., for the quasifree mechanism of the double photoionization of helium, are studied, parameterized by the single scalar parameter − 1 ≤ λ ≤ 1 (“collinear…
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Keywords:
helium;
collinear configurations;
configurations derived;
configuration ... See more keywords
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Published in 2017 at "Chem"
DOI: 10.1016/j.chempr.2017.11.001
Abstract: Summary Aqueous organic redox flow batteries (AORFBs) are highly attractive for large-scale energy storage because redox-active organic molecules are synthetically tunable, sustainable, and potentially low cost. Here, we show that rational molecular engineering yielded a…
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Keywords:
storage;
flow batteries;
two electron;
redox ... See more keywords
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Published in 2021 at "Journal of Power Sources"
DOI: 10.1016/j.jpowsour.2021.229659
Abstract: Abstract Salt cavern with a volume of hundreds of thousands of cubic meters for storing electrolyte has been considered as a promising large-scale storage technology. However, the solubility and electrochemical stability of active organic species…
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Keywords:
salt cavern;
unsymmetrical two;
two electron;
electron viologens ... See more keywords
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Published in 2020 at "Journal of water process engineering"
DOI: 10.1016/j.jwpe.2020.101242
Abstract: Abstract Two new catalysts for the electrochemical Fenton process: Sn2+, and Bi3+ cations have been investigated. We refer to them as "two-electron" catalysts because they are expected to be oxidized to Sn4+ and Bi5+ cations…
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Keywords:
electro fenton;
electron catalysts;
two electron;
process ... See more keywords
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Published in 2017 at "Radiation Measurements"
DOI: 10.1016/j.radmeas.2017.03.002
Abstract: Abstract A model of thermoluminescence (TL) is presented based on a double-occupancy electron trap and a single-hole recombination center. The concept of double-electron traps has been established before with regard to different solid state phenomena…
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Keywords:
thermoluminescence associated;
two electron;
associated two;
electron traps ... See more keywords
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Published in 2020 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.0c00254
Abstract: The trilithium compound 1,3-[PhMe2Si-C(Li)═C(H)]2C6H3Li (2b) reacted with BCl3, AlCl3, or GaCl3 by salt elimination to yield dinuclear heptacyclic compounds (4). Two tridentate tricarbanionic ligands coordinate two B, Al, or Ga atoms and adopt a helical…
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Keywords:
three center;
electron bonds;
center two;
chemistry ... See more keywords