Items where Author is "Erakovic, Mihael"

Szenes, Kalman; Glaser, Nina; Eraković, Mihael; Barandun, Valentin; Mörchen, Maximilian; Feldmann, Robin; Battaglia, Stefano; Baiardi, Alberto; Reiher, Markus (2025) QCMaquis 4.0: Multipurpose Electronic, Vibrational, and Vibronic Structure and Dynamics Calculations with the Density Matrix Renormalization Group. The Journal of Physical Chemistry A, 129 (32). pp. 7549-7574. ISSN 1089-5639

Tokić, Nina; Eraković, Mihael; Cvitaš, Marko Tomislav (2025) Tunneling splittings in the energetically low-lying structural isomers of the water hexamer: the prism, the cage and the book. Physical Chemistry Chemical Physics, 27 (14). pp. 6938-6957. ISSN 1463-9076

Erakovic, Mihael; Witteveen, Freek; Harley, Dylan; Günther, Jakob; Bensberg, Moritz; Meitei, Oinam Romesh; Cho, Minsik; Van Voorhis, Troy; Reiher, Markus; Christandl, Matthias (2025) High Ground State Overlap via Quantum Embedding Methods. PRX Life, 3 . ISSN 2835-8279

Babić, Tea; Eraković, Mihael; Cvitaš, Marko Tomislav (2024) Tunneling Splittings of the Protonated Water and Water Dimer. Croatica Chemica Acta, 97 (4). pp. 217-229. ISSN 00111643

Sadžak, Anja; Brkljača, Zlatko; Eraković, Mihael; Kriechbaum, Manfred; Maltar-Strmečki, Nadica; Přibyl, Jan; Šegota, Suzana (2023) Puncturing lipid membranes: onset of pore formation and the role of hydrogen bonding in the presence of flavonoids. Journal of Lipid Research, 64 (10). ISSN 0022-2275

Eraković, Mihael; Cvitaš, Marko T. (2022) Vibrational Tunneling Spectra of Molecules with Asymmetric Wells: A Combined Vibrational Configuration Interaction and Instanton Approach. Journal of Chemical Theory and Computation, 18 (5). pp. 2785-2802. ISSN 1549-9618

Eraković, Mihael; Vaillant, Christophe L.; Cvitaš, Marko Tomislav (2020) Instanton theory of ground-state tunneling splittings with general paths. Journal of Chemical Physics, 152 (8). ISSN 0021-9606

Eraković, Mihael; Cvitaš, Marko Tomislav (2020) Tunneling splittings of vibrationally excited states using general instanton paths. Journal of Chemical Physics, 153 (13). ISSN 0021-9606

Eraković, Mihael; Cinčić, Dominik; Molčanov, Krešimir; Stilinović, Vladimir (2019) A Crystallographic Charge Density Study of the Partial Covalent Nature of Strong N⋅⋅⋅Br Halogen Bonds. Angewandte Chemie International edition, 58 (44). pp. 15702-15706. ISSN 1433-7851