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  1. Ruđer Bošković Institute
  2. Divisions
  3. Division of Physical Chemistry
  4. Laboratory for Applied and Susta...
  5. Projects
  6. Targeted synthesis of new functi...
  7. Publications

Publications

4. Yizhi Xu, Y.; Dorrell, J.; Lisac, K.; Brekalo, I.; Darby, J. P.; Morris, A. J.* and Arhangelskis, M.* „Hierarchical Crystal Structure Prediction of Zeolitic Imidazolate Frameworks Using DFT and Machine-Learned Interatomic Potentials“, arXiv preprint, 2026, https://arxiv.org/abs/2601.05097

3. Brekalo,I.*; Lisac, K.; Ramirez, J. R.; Pongrac, P.; Puškarić, A.; Valić, S.; Xu, Y.; Ferguson, M.; Marrett, J. M.; Arhangelskis, M.*; Friščić, T.*; Holman, K. T.* “Mechanochemical Solid Form Screening of Zeolitic Imidazolate Frameworks Using Structure-Directing Liquid Additives” J. Am. Chem. Soc., 2025, 147, 27413−27430. DOI: https://doi.org/10.1021/jacs.5c04043

2. Zgrablić, G.; Senkić, A.; Vidović, N.; Užarević, K.; Čapeta, D.*; Brekalo, I.*; Rakić, M. “Building a cost-effective mechanochemical Raman system: improved spectral and time resolution for in situ reaction and rheology monitoring” Phys. Chem. Chem. Phys., 2025, 27, 5909-5920.  DOI: https://doi.org/10.1039/D4CP04757E

1. Grgurić, T.; Razum, M.; Martinez, V.; Zgrablić,G.; Senkić, A.; Karadeniz, B.; Etter, M.; Brekalo, I.; Arhangelskis, M.; Pavić, L.; Užarević, K. „Green and scalable preparation of highly conductive alkali metal-dhta MOFs“ Inorg. Chem. 2024, 63, 24587–24600. https://doi.org/10.1021/acs.inorgchem.4c03714

Targeted synthesis of new functional materials by computationally assisted mechanochemical templation (CAMT)