A. Daniel Boese, Ph.D.

2012- Chemistry Karl-Franzens-Universität Graz, Graz, Stmk, Austria 
Quantum chemistry, noncovalent interactions
"A. Daniel Boese"
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Hoja J, List A, Boese AD. (2023) Multimer Embedding Approach for Molecular Crystals up to Harmonic Vibrational Properties. Journal of Chemical Theory and Computation. 20: 357-367
Hartmann PE, Lazzarotto M, Pletz J, et al. (2020) Mechanistic Studies of the TRIP Catalyzed Allylation with Organozinc Reagents. The Journal of Organic Chemistry
Dolgonos GA, Hoja J, Boese AD. (2019) Revised values for the X23 benchmark set of molecular crystals. Physical Chemistry Chemical Physics : Pccp
Boese AD, Jansen G. (2019) ZMP-SAPT: DFT-SAPT using ab initio densities. The Journal of Chemical Physics. 150: 154101
Dolgonos GA, Boese AD. (2019) Adjusting dispersion parameters for the density-functional tight-binding description of molecular crystals Chemical Physics Letters. 718: 7-11
Loboda OA, Dolgonos GA, Boese AD. (2018) Towards hybrid density functional calculations of molecular crystals via fragment-based methods. The Journal of Chemical Physics. 149: 124104
Tüchler M, Gärtner L, Fischer S, et al. (2018) Efficient CO Insertion and Reduction Catalyzed by a Terminal Zinc Hydride Complex. Angewandte Chemie (International Ed. in English). 57: 6906-6909
Dolgonos GA, Loboda OA, Boese AD. (2018) Development of Embedded and Performance of Density Functional Methods for Molecular Crystals. The Journal of Physical Chemistry. A. 122: 708-713
Berger C, Bucher E, Windischbacher A, et al. (2018) Strontium-free rare earth perovskite ferrites with fast oxygen exchange kinetics: Experiment and theory Journal of Solid State Chemistry. 259: 57-66
Tüchler M, Holler S, Huber E, et al. (2017) Synthesis and Characterization of a Thiopyridazinylmethane-Based Scorpionate Ligand: Formation of Zinc Complexes and Rearrangement Reaction Organometallics. 36: 3790-3798
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