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7 Publications
2025 | Published | Journal Article | IST-REx-ID: 18710 | 
Hrast M, Ljubotina M, Zitnik M. Ab initio Auger spectrum of the ultrafast dissociating 2p3/2−1σ* resonance in HCl. Physical Chemistry Chemical Physics. 2025;27(3):1473-1482. doi:10.1039/d4cp03727h
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2022 | Published | Journal Article | IST-REx-ID: 12938 |
Gamper J, Kluibenschedl F, Weiss AKH, Hofer TS. From vibrational spectroscopy and quantum tunnelling to periodic band structures – a self-supervised, all-purpose neural network approach to general quantum problems. Physical Chemistry Chemical Physics. 2022;24(41):25191-25202. doi:10.1039/d2cp03921d
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2020 | Published | Journal Article | IST-REx-ID: 9666 |
Reinhardt A, Pickard CJ, Cheng B. Predicting the phase diagram of titanium dioxide with random search and pattern recognition. Physical Chemistry Chemical Physics. 2020;22(22):12697-12705. doi:10.1039/d0cp02513e
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| arXiv
2018 | Published | Journal Article | IST-REx-ID: 9668 |
Cheng B, Dellago C, Ceriotti M. Theoretical prediction of the homogeneous ice nucleation rate: Disentangling thermodynamics and kinetics. Physical Chemistry Chemical Physics. 2018;20(45):28732-28740. doi:10.1039/c8cp04561e
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| arXiv
2016 | Published | Journal Article | IST-REx-ID: 17964 |
Cvetko D, Fratesi G, Kladnik G, et al. Ultrafast electron injection into photo-excited organic molecules. Physical Chemistry Chemical Physics. 2016;18(32):22140-22145. doi:10.1039/c6cp04099c
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2012 | Published | Journal Article | IST-REx-ID: 18004
Ahn S, Aradhya SV, Klausen RS, et al. Electronic transport and mechanical stability of carboxyl linked single-molecule junctions. Physical Chemistry Chemical Physics. 2012;14(40). doi:10.1039/c2cp41578j
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2010 | Published | Journal Article | IST-REx-ID: 10128
Šarić A, Hrenar T, Mališ M, Došlić N. Quantum mechanical study of secondary structure formation in protected dipeptides. Physical Chemistry Chemical Physics. 2010;12(18):4678-4685. doi:10.1039/b923041f
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