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Structure and optoelectronic properties of helical pyridine–furan, pyridine–pyrrole and pyridine–thiophene oligomers JOURNAL ARTICLE published 2015 in Physical Chemistry Chemical Physics Research funded by Science and Engineering Research Board (SB/S1/PC-035/2013) |
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Oxidation, ignition and combustion of toluene: Experimental and detailed chemical kinetic modelingElectronic supplementary information (ESI) available: Arrhenius parameters for reactions. See http://www.rsc.org/suppdata/cp/b1/b110282f/ JOURNAL ARTICLE published 1 May 2002 in Physical Chemistry Chemical Physics |
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A search of a quantitative quantum-chemical approach for radiolytic stability prediction JOURNAL ARTICLE published 2020 in Physical Chemistry Chemical Physics Research funded by Russian Foundation for Basic Research (18-33-20179) |
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The electron density of delocalized bonds (EDDB) applied for quantifying aromaticity JOURNAL ARTICLE published 2017 in Physical Chemistry Chemical Physics Research funded by Generalitat de Catalunya (2014SGR931) | Narodowe Centrum Nauki (2015/17/D/ST4/00558) | Foundation For Polish Science (START, 103.2015) | Ministerio de Economía y Competitividad (CTQ2014-54306-P) |
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New complete assignment of X-ray powder diffraction patterns in graphitic carbon nitride using discrete Fourier transform and direct experimental evidence JOURNAL ARTICLE published 2017 in Physical Chemistry Chemical Physics Research funded by National Natural Science Foundation of China (21471036,51073039) |
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Plasmon-mediated photocatalytic activity of wet-chemically prepared ZnO nanowire arrays JOURNAL ARTICLE published 2015 in Physical Chemistry Chemical Physics |
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Utilizing high performance computing for chemistry: parallel computational chemistry JOURNAL ARTICLE published 2010 in Physical Chemistry Chemical Physics |
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Hydrogenated carbon nanotube-based spin caloritronics JOURNAL ARTICLE published 2017 in Physical Chemistry Chemical Physics Research funded by National Natural Science Foundation of Jiangsu Province (BK20150825,BK20170895) | National Natural Science Foundation of China (NSFC11374162,NSFC11504178,NSFC51651202) |
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Simple thiophene-bridged D–π–A type chromophores for DSSCs: a comprehensive study of their sensitization and co-sensitization properties JOURNAL ARTICLE published 2020 in Physical Chemistry Chemical Physics |
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Speciation of uranyl ions in fulvic acid and humic acid: a DFT exploration JOURNAL ARTICLE published 2011 in Physical Chemistry Chemical Physics |
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The atmospheric oxidation of dimethyl, diethyl, and diisopropyl ethers. The role of the intramolecular hydrogen shift in peroxy radicals JOURNAL ARTICLE published 2016 in Physical Chemistry Chemical Physics Research funded by National Natural Science Foundation of China (21477038) |
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From electronic structure to model application for alkyl cyclohexane combustion chemistry: H-atom abstraction reactions by HȮ2radical JOURNAL ARTICLE published 2023 in Physical Chemistry Chemical Physics Research funded by National Science and Technology Major Project (2017-III-0004-0028) |
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The effect of electric field on the structural order of water molecules around chitosan between nano gold plates determined by molecular dynamics simulations JOURNAL ARTICLE published 2022 in Physical Chemistry Chemical Physics Research funded by Japan Society for the Promotion of Science (JP19H05718,JP20H02058,JP21K18679) | New Energy and Industrial Technology Development Organization (JPNP07015) |
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Light-activated electric bistability for evaporated silver nanoparticles in organic field-effect transistors JOURNAL ARTICLE published 2017 in Physical Chemistry Chemical Physics |
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Intersystem crossing processes in the 2CzPN emitter: a DFT/MRCI study including vibrational spin–orbit interactions JOURNAL ARTICLE published 2021 in Physical Chemistry Chemical Physics Research funded by Deutsche Forschungsgemeinschaft (396890929/GRK 2482,MA 1051/17-1) |
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XPS enables visualization of electrode potential screening in an ionic liquid medium with temporal- and lateral-resolution JOURNAL ARTICLE published 2016 in Physical Chemistry Chemical Physics |
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Role of aromatic residues in amyloid fibril formation of human calcitonin by solid-state 13C NMR and molecular dynamics simulation JOURNAL ARTICLE published 2013 in Physical Chemistry Chemical Physics |
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Designing water splitting catalysts using rules of thumb: advantages, dangers and alternatives JOURNAL ARTICLE published 2020 in Physical Chemistry Chemical Physics Research funded by Generalitat de Catalunya (2017SGR13) | European Cooperation in Science and Technology (18234) |
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Trimethylsilyl hedgehogs – a novel class of super-efficient hydrocarbon surfactants JOURNAL ARTICLE published 2017 in Physical Chemistry Chemical Physics |
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Chemical and electromagnetic mechanisms of tip-enhanced Raman scattering JOURNAL ARTICLE published 2009 in Physical Chemistry Chemical Physics |