Publikationen von Alexander A. Auer
Alle Typen
Zeitschriftenartikel (38)
2020
Zeitschriftenartikel
59 (14), S. 5788 - 5796 (2020)
A Supported Bismuth Halide Perovskite Photocatalyst for Selective Aliphatic and Aromatic C–H Bond Activation. Angewandte Chemie, International Edition 2019
Zeitschriftenartikel
20 (19), S. 2539 - 2552 (2019)
Balancing Donor‐Acceptor and Dispersion Effects in Heavy Main Group Element π Interactions: Effect of Substituents on the Pnictogen···π Arene Interaction. ChemPhysChem
Zeitschriftenartikel
38 (15), S. 2927 - 2942 (2019)
Structure and Reactivity of 1,8-Bis(naphthalenediyl)dipnictanes. Organometallics
Zeitschriftenartikel
150 (4), 041705 (2019)
High resolution transmission electron microscopy and electronic structure theory investigation of platinum nanoparticles on carbon black. The Journal of Chemical Physics
Zeitschriftenartikel
48 (1), S. 220 - 230 (2019)
Spirocyclic tin salicyl alcoholates – a combined experimental and theoretical study on their structures, 119Sn NMR chemical shifts and reactivity in thermally induced twin polymerization. Dalton Transactions 2018
Zeitschriftenartikel
14 (9), S. 4756 - 4771 (2018)
Efficient and Accurate Prediction of Nuclear Magnetic Resonance Shielding Tensors with Double-Hybrid Density Functional Theory. Journal of Chemical Theory and Computation
Zeitschriftenartikel
14, S. 2125 - 2145 (2018)
Evaluation of dispersion type metal···π arene interaction in arylbismuth compounds - an experimental and theoretical study. Beilstein Journal of Organic Chemistry
Zeitschriftenartikel
14 (2), S. 619 - 637 (2018)
Self-Consistent Field Calculation of Nuclear Magnetic Resonance Chemical Shielding Constants Using Gauge-Including Atomic Orbitals and Approximate Two-Electron Integrals. Journal of Chemical Theory and Computation
Zeitschriftenartikel
148 (1), 014301 (2018)
The furan microsolvation blind challenge for quantum chemical methods: First steps. The Journal of Chemical Physics 2017
Zeitschriftenartikel
82 (12), S. 1396 - 1407 (2017)
Electronic Structure Calculations and Experimental Studies on the Thermal Initiation of the Twin Polymerization Process. ChemPlusChem
Zeitschriftenartikel
38 (21), S. 1853 - 1868 (2017)
A toolchain for the automatic generation of computer codes for correlated wavefunction calculations. Journal of Computational Chemistry
Zeitschriftenartikel
13 (7), S. 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
Zeitschriftenartikel
7 (6), S. 3768 - 3778 (2017)
Standardized Benchmarking of Water Splitting Catalysts in a Combined Electrochemical Flow Cell/Inductively Coupled Plasma–Optical Emission Spectrometry (ICP-OES) Setup. ACS Catalysis
Zeitschriftenartikel
19 (14), S. 9374 - 9391 (2017)
Pair natural orbital and canonical coupled cluster reaction enthalpies involving light to heavy alkali and alkaline earth metals: the importance of sub-valence correlation. Physical Chemistry Chemical Physics
Zeitschriftenartikel
13 (2), S. 554 - 562 (2017)
Automatic Generation of Auxiliary Basis Sets. Journal of Chemical Theory and Computation
Zeitschriftenartikel
23 (4), S. 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 2016
Zeitschriftenartikel
12 (10), S. 4778 - 4792 (2016)
Decomposition of Intermolecular Interaction Energies within the Local Pair Natural Orbital Coupled Cluster Framework. Journal of Chemical Theory and Computation
Zeitschriftenartikel
145 (5), 054104 (2016)
Comparison of fully internally and strongly contracted multireference configuration interaction procedures. The Journal of Chemical Physics Buchkapitel (1)
2019
Buchkapitel
Theory of the TP-computational studies on the mechanism of the proton-catalyzed and thermally induced TP, Part of chapter 3: Structure and Theory. In: Twin Polymerization: New Strategy for Hybrid Materials Synthesis, S. 116 - 135 (Hg. Spange, S.; Mehring, M.). Walter de Gruyter GmbH, Berlin/Boston (2019)
Sonstige (1)
2015
Sonstige
MAXNET Energy – Focusing Research in Chemical Energy Conversion on the Electrocatlytic Oxygen Evolution, Green: The International Journal of Sustainable Energy Conversion and Storage 5 (1-6 Aufl.), S. 7 - 21 (2015)