A. Daniel Boese, Ph.D.
Affiliations: | 2012- | Chemistry | Karl-Franzens-Universität Graz, Graz, Stmk, Austria |
Area:
Quantum chemistry, noncovalent interactionsWebsite:
https://chemie.uni-graz.at/de/quantum-chemistry/Google:
"A. Daniel Boese"Mean distance: (not calculated yet)
Parents
Sign in to add mentor| Nicholas C. Handy | grad student | 1998-2001 | Cambridge |
| Jan M.L. Martin | post-doc | 2002-2004 | Weizmann Institute |
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Publications
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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 |