A. Daniel Boese

Nawi Graz — Austria

Physics and Astronomy · Physical Sciences

29h-index6.5kcitations125works19.32yr avg
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Research Topics

Advanced Chemical Physics Studies(43), X-ray Diffraction in Crystallography(31), Crystallography and molecular interactions(27), Crystallization and Solubility Studies(24), Chemical Thermodynamics and Molecular Structure(14)

Publications125 total

Metal-free hydrogen generation from seawater and silicon waste: a circular approach
2026Open Access
Investigation of the Binding of the Macrolide Antibiotic Telithromycin to Human Serum Albumin by NMR Spectroscopy
International Journal of Molecular Sciences·2025Open Access
BEST-CSP Benchmark Study of Polymorphs I and II of Sulfamerazine and the Perils of Polytype Polymorphs
Crystal Growth & Design·2025Open Access
Another Angle on Benchmarking Noncovalent Interactions
Journal of Chemical Theory and Computation·2025· 11 citedOpen Access
Post-CCSD(T) corrections in the S66 noncovalent interactions benchmark
Chemical Physics Letters·2025· 8 citedOpen Access
The V30 benchmark set for anharmonic vibrational frequencies of molecular dimers
The Journal of Chemical Physics·2024· 3 cited
Post-CCSD(T) corrections in the S66 noncovalent interactions benchmark
arXiv (Cornell University)·2024Open Access
Understanding the Carbyne Formation from C<sub>2</sub>H<sub>2</sub> Complexes
Journal of the American Chemical Society·2024· 3 citedOpen Access
The seventh blind test of crystal structure prediction: structure ranking methods
Acta Crystallographica Section B Structural Science Crystal Engineering and Materials·2024· 59 citedOpen Access
Another Angle on Benchmarking Noncovalent Interactions
arXiv (Cornell University)·2024· 1 citedOpen Access
The seventh blind test of crystal structure prediction: structure generation methods
Acta Crystallographica Section B Structural Science Crystal Engineering and Materials·2024· 65 citedOpen Access
Dissociation Energies via Embedding Techniques
The Journal of Physical Chemistry A·2024Open Access
Supporting Data for: The V30 Benchmark Set for Anharmonic Vibrational Frequencies of Molecular Dimers
Zenodo (CERN European Organization for Nuclear Research)·2024· 1 citedOpen Access
Closed-loop recyclability of a biomass-derived epoxy-amine thermoset by methanolysis
Science·2024· 125 citedOpen Access
Tunable Self-Referenced Molecular Thermometers via Manipulation of Dual Emission in Platinum(II) Pyridinedipyrrolide Complexes
ACS Applied Materials & Interfaces·2024· 14 citedOpen Access
Benchmarking Swaths of Intermolecular Interaction Components with Symmetry-Adapted Perturbation Theory
Journal of Chemical Theory and Computation·2023· 8 citedOpen Access
Multimer Embedding Approach for Molecular Crystals up to Harmonic Vibrational Properties
Journal of Chemical Theory and Computation·2023· 15 citedOpen Access
Supporting Data for: A Multimer Embedding Approach for Molecular Crystals up to Harmonic Vibrational Properties
Zenodo (CERN European Organization for Nuclear Research)·2023Open Access
Supporting Data for: A Multimer Embedding Approach for Molecular Crystals up to Harmonic Vibrational Properties
Zenodo (CERN European Organization for Nuclear Research)·2023· 1 citedOpen Access
Supporting Data for: A Multimer Embedding Approach for Molecular Crystals up to Harmonic Vibrational Properties
Zenodo (CERN European Organization for Nuclear Research)·2023· 1 citedOpen Access
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Frequent Co-authors

Jan M. L. Martin(8), Wim Klopper(6), Johannes Hoja(5), Susanne M. Fischer(5), Nicholas C. Handy(4), Joachim Sauer(4), Richard I. Cooper(3), Graeme M. Day(3), Bouke P. van Eijck(3), Midori Goto(3), Noa Marom(3), Sharmarke Mohamed(3), Marcus A. Neumann(3), Jonas Nyman(3), Shigeaki Obata(3), Artem R. Oganov(3), Alexander List(3), Holger Schneider(3), J. Mathias Weber(3), Roland Boese(3)