Scientific Publications
Journal Article (109)
1.
Journal Article
23 (50 Sp. Iss. SI), pp. 12125 - 12130 (2017)
MOF-Templated Assembly Approach for Fe3C Nanoparticles Encapsulated in Bamboo-Like N-Doped CNTs: Highly Efficient Oxygen Reduction under Acidic and Basic Conditions. Chemistry – A European Journal 2.
Journal Article
4 (1), pp. 188 - 193 (2017)
Metal-Organic Framework Derived Carbon Nanotube Grafted Cobalt/Carbon Polyhedra Grown on Nickel Foam: An Efficient 3D Electrode for Full Water Splitting. ChemElectroChem 3.
Journal Article
3 (2), 1600473, pp. 1600473-1 - 1600473-8 (2017)
Size Dependence of Electrical Conductivity and Thermoelectric Enhancements in Spin-Coated PEDOT:PSS Single and Multiple Layers. Advanced Electronic Materials 4.
Journal Article
63, pp. 1 - 8 (2017)
Improved photoelectrochemical performance of bismuth vanadate by partial O/F-substitution. Solid State Sciences 5.
Journal Article
82 (12), pp. 1396 - 1407 (2017)
Electronic Structure Calculations and Experimental Studies on the Thermal Initiation of the Twin Polymerization Process. ChemPlusChem 6.
Journal Article
56 (17), pp. 4882 - 4886 (2017)
Ligand Rearrangements at Fe/S Cofactors: Slow Isomerization of a Biomimetic [2Fe-2S] Cluster. Angewandte Chemie, International Edition in English 7.
Journal Article
7 (36), pp. 22222 - 22233 (2017)
Carbonic acid monoethyl ester as a pure solid and its conformational isomerism in the gas-phase. RSC Advances 8.
Journal Article
23 (4), pp. 865 - 873 (2017)
Understanding the Role of Dispersion in Frustrated Lewis Pairs and Classical Lewis Adducts: A Domain-Based Local Pair Natural Orbital Coupled Cluster Study. Chemistry – A European Journal 9.
Journal Article
13 (7), pp. 3220 - 3227 (2017)
Treating Subvalence Correlation Effects in Domain Based Pair Natural Orbital Coupled Cluster Calculations: An Out-of-the-Box Approach. Journal of Chemical Theory and Computation 10.
Journal Article
56 (3), pp. 1470 - 1477 (2017)
Revisiting the Mössbauer Isomer Shifts of the FeMoco Cluster of Nitrogenase and the Cofactor Charge. Inorganic Chemistry 11.
Journal Article
93 (3), pp. 640 - 641 (2017)
Introduction, Festschrift in honor of Wolfgang Gärtner. Photochemistry and Photobiology 12.
Journal Article
147 (2), pp. 416 - 427 (2017)
Methanol Synthesis from Industrial CO2 Sources: A Contribution to Chemical Energy Conversion. Catalysis Letters 13.
Journal Article
31 (1 Sp. Iss. SI), pp. 87 - 106 (2017)
Binding free energies in the SAMPL5 octa-acid host-guest challenge calculated with DFT-D3 and CCSD(T). Journal of Computer-Aided Molecular Design 14.
Journal Article
13 (7), pp. 779 - 784 (2017)
Structural and functional characterization of the hydrogenase-maturation HydF protein. Nature Chemical Biology 15.
Journal Article
56 (34), pp. 10108 - 10113 (2017)
Two Exceptional Homoleptic Iron(IV) Tetraalkyl Complexes. Angewandte Chemie, International Edition in English 16.
Journal Article
56 (27), pp. 7995 - 7999 (2017)
Electronic Structure and Magnetic Anisotropy of an Unsaturated Cyclopentadienyl Iron(I) Complex with 15 Valence Electrons. Angewandte Chemie, International Edition in English 17.
Journal Article
9 (15), pp. 2988 - 2995 (2017)
Role of Composition and Size of Cobalt Ferrite Nanocrystals in the Oxygen Evolution Reaction. ChemCatChem 18.
Journal Article
81, pp. 206 - 217 (2017)
Morphological tunable three-dimensional flower-like zinc oxides with high photoactivity for targeted environmental Remediation: Degradation of emerging micropollutant and radicals trapping experiments. Journal of the Taiwan Institute of Chemical Engineers 19.
Journal Article
56 (19), pp. 11819 - 11836 (2017)
A Restricted Open Configuration Interaction with Singles Method To Calculate Valence-to-Core Resonant X-ray Emission Spectra: A Case Study. Inorganic Chemistry 20.
Journal Article
56 (17), pp. 10418 - 10436 (2017)
Revisiting the Electronic Structure of FeS Monomers Using ab Initio Ligand Field Theory and the Angular Overlap Model. Inorganic Chemistry