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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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Plasmon-mediated photocatalytic activity of wet-chemically prepared ZnO nanowire arrays JOURNAL ARTICLE published 2015 in Physical Chemistry Chemical Physics |
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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 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 |
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The development of surface-enhanced Raman scattering as a detection modality for portable in vitro diagnostics: progress and challenges JOURNAL ARTICLE published 2013 in Physical Chemistry Chemical Physics |
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Ramachandran mapping of peptide conformation using a large database of computed Raman and Raman optical activity spectra JOURNAL ARTICLE published 2016 in Physical Chemistry Chemical Physics |
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The urokinase plasminogen activator binding to its receptor: a quantum biochemistry description within an in/homogeneous dielectric function framework with application to uPA–uPAR peptide inhibitors JOURNAL ARTICLE published 2020 in Physical Chemistry Chemical Physics Research funded by Fundação de Amparo à Pesquisa do Estado de São Paulo (2009/16150-6; 2014/50938-8) | Conselho Nacional de Desenvolvimento Científico e Tecnológico (465699/2014-6) |
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Optical properties of the hydrated charged silver tetramer and silver hexamer encapsulated inside the sodalite cavity of an LTA-type zeolite JOURNAL ARTICLE published 2016 in Physical Chemistry Chemical Physics |
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Time-resolved spectroscopy of the ensembled photoluminescence of nitrogen- and boron/nitrogen-doped carbon dots JOURNAL ARTICLE published 2018 in Physical Chemistry Chemical Physics Research funded by National Research Foundation of Korea (2017M3A7B4052802,2017R1A2B4010271,2017R1A6A3A11028305) |
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Investigation of plasmon resonance in metal/dielectric nanocavities for high-efficiency photocatalytic device JOURNAL ARTICLE published 2017 in Physical Chemistry Chemical Physics |