The seventh blind test of crystal structure prediction: structure generation methods LM Hunnisett, J Nyman, N Francia, NS Abraham, CS Adjiman, ... Structural Science 80 (6), 2024 | 11 | 2024 |
The seventh blind test of crystal structure prediction: structure ranking methods LM Hunnisett, N Francia, J Nyman, NS Abraham, S Aitipamula, T Alkhidir, ... Structural Science 80 (6), 2024 | 8 | 2024 |
Competing Intramolecular Hydrogen Bond Strengths and Intermolecular Interactions in the 4-Aminobutanol–Water Complex JA Hohl, MW Harris, N Strasser, AM Kelterer, RJ Lavrich The Journal of Physical Chemistry A 122 (43), 8505-8510, 2018 | 4 | 2018 |
Predicting Spin-Dependent Phonon Band Structures of HKUST-1 Using Density Functional Theory and Machine-Learned Interatomic Potentials N Strasser, S Wieser, E Zojer International Journal of Molecular Sciences 25 (5), 3023, 2024 | 3 | 2024 |
Combining Brillouin Light Scattering Spectroscopy and Machine-Learned Interatomic Potentials to Probe Mechanical Properties of Metal-Organic Frameworks FP Lindner, N Strasser, M Schultze, S Wieser, C Slugovc, K Elsayad, ... The Journal of Physical Chemistry Letters 16, 1213-1220, 2025 | | 2025 |
Chemical Bonding in Three-Membered Ring Systems N Strasser, AF Sax Molecules 30 (3), 612, 2025 | | 2025 |
OVB analysis of chemical bonding in three-membered ring systems N Strasser, A Sax arXiv preprint arXiv:2411.09399, 2024 | | 2024 |
Combining Brillouin spectroscopy and machine learned interatomic potentials to probe mechanical properties of metal organic frameworks FP Lindner, N Strasser, M Schultze, S Wieser, C Slugovc, K Elsayad, ... arXiv preprint arXiv:2409.07039, 2024 | | 2024 |