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Electron paramagnetic resonance of a copper doped [(CH3)2NH2][Zn(HCOO)3] hybrid perovskite framework JOURNAL ARTICLE published 2018 in Physical Chemistry Chemical Physics Research funded by Deutsche Forschungsgemeinschaft (SPP 1601) | European Cooperation in Science and Technology (MP1308-TO-BE / STSM Grant) | Lietuvos Mokslo Taryba (TAP LLT-4/2017) |
On the calculation of second-order magnetic properties using subsystem approaches in a relativistic framework JOURNAL ARTICLE published 2017 in Physical Chemistry Chemical Physics Research funded by Ministère de l'Education Nationale, de l'Enseignement Superieur et de la Recherche (CPER CLIMBIO) | Centre National de la Recherche Scientifique (PICS6386) | Agence Nationale de la Recherche (ANR-11-LABX-0005-01) |
Effects of varying water adsorption on a Cu3(BTC)2 metal–organic framework (MOF) as studied by 1H and 13C solid-state NMR spectroscopy JOURNAL ARTICLE published 2011 in Physical Chemistry Chemical Physics |
Fused coarse-grained model of aromatic ionic liquids and their behaviour at electrodes JOURNAL ARTICLE published 2016 in Physical Chemistry Chemical Physics |
Single-molecule level dynamic observation of disassembly of the apo-ferritin cage in solution JOURNAL ARTICLE published 2020 in Physical Chemistry Chemical Physics Research funded by Japan Society for the Promotion of Science (19H05389,19K15695,JP13F03343,JP16H04177,JP16K13095,JP18H05421,JP23350080,JP26102513) |
Enantiospecific adsorption of amino acids on hydroxylated quartz (101̄0) JOURNAL ARTICLE published 2010 in Physical Chemistry Chemical Physics |
Absorption spectra of benzoic acid in water at different pH and in the presence of salts: insights from the integration of experimental data and theoretical cluster models JOURNAL ARTICLE published 2020 in Physical Chemistry Chemical Physics Research funded by Division of Chemistry (CHE1801971,TG-CHE170064) |
Shape-controlled TiO2nanoparticles and TiO2P25 interacting with CO and H2O2molecular probes: a synergic approach for surface structure recognition and physico-chemical understanding JOURNAL ARTICLE published 2013 in Phys. Chem. Chem. Phys. |
Graphene-covered transition metal halide molecules as efficient and durable electrocatalysts for oxygen reduction and evolution reactions JOURNAL ARTICLE published 2019 in Physical Chemistry Chemical Physics Research funded by National Basic Research Program of China (2017YFA0206500) | National Natural Science Foundation of China (51732002,51973174) | Beijing University of Chemical Technology (buctylkxj02) | Fundamental Research Funds for the Central Universities (3102019ZD0402) | National Science Foundation (1561886,1662288) |
Exploring a charge-central strategy in the solution of Poisson's equation for biomolecular applications JOURNAL ARTICLE published 2013 in Phys. Chem. Chem. Phys. |
Luminescent properties of 2-mercaptobenzothiazolates of trivalent lanthanides JOURNAL ARTICLE published 2015 in Physical Chemistry Chemical Physics Research funded by Russian Foundation for Basic Research (13-03-97046) |
Ab initio calculations for the Zn 2s and 2p core level binding energies in Zn oxo compounds and ZnO JOURNAL ARTICLE published 2006 in Phys. Chem. Chem. Phys. |
Electronic structure and magnetic properties of the triangular nanographenes with radical substituents: a DFT study JOURNAL ARTICLE published 2020 in Physical Chemistry Chemical Physics Research funded by Ministry of Education and Science of the Russian Federation (14.Y26.31.0016) |
Theoretical investigation of amino-acid adsorption on hydroxylated quartz surfaces: dispersion can determine enantioselectivity JOURNAL ARTICLE published 2020 in Physical Chemistry Chemical Physics |
Sensitivity enhancement and low-field spin relaxation in singlet NMR JOURNAL ARTICLE published 2012 in Physical Chemistry Chemical Physics |
Hydrogen storage in bimetallic Ti–Al sub-nanoclusters supported on graphene JOURNAL ARTICLE published 2017 in Physical Chemistry Chemical Physics |
Unimolecular decomposition pathways of negatively charged nitriles by ab initio molecular dynamics JOURNAL ARTICLE published 2016 in Physical Chemistry Chemical Physics Research funded by Deutsche Forschungsgemeinschaft (1927/10-1) |
Water interaction with B-site (B = Al, Zr, Nb, and W) doped SrFeO3−δ-based perovskite surfaces for thermochemical water splitting applications JOURNAL ARTICLE published 2022 in Physical Chemistry Chemical Physics Research funded by National Natural Science Foundation of China (22172188,51674164,51874196) | Science and Technology Commission of Shanghai Municipality (19DZ2270200,20511107700,21DZ1208900) |
Unveiling the impact of Ni2+/Y3+ co-substitution on the structural, dielectric, and impedance properties of multiferroic spinel ferrite for hydroelectric cell application JOURNAL ARTICLE published 2023 in Physical Chemistry Chemical Physics |
Thermodynamics, kinetics and electronic properties of point defects in β-FeSi2 JOURNAL ARTICLE published 2019 in Physical Chemistry Chemical Physics Research funded by National Natural Science Foundation of China (11774365) |