- “Hibridno modeliranje pobuđenih stanja u inovativnim molekularnim materijalima: od optičkih svojstava do
eksitonske dinamike” HYMO4EXNOMOMA (voditelji), HRZZ  2021-2025

Radovi u časopisima

Znanstveni i pregledni radovi

• Ovčar, J., Leung, T., Grisanti, L., Skoko, Ž., Vrankić, M., Low, K., Wang, S., You, P., Ahn, H., Lončarić, I., Djurišić, A. & Popović, J. (2022) Mixed Halide Ordering as a Tool for the Stabilization of Ruddlesden–Popper Structures. Chemistry of Materials, 34 (10), 4286-4297 doi:10.1021/acs.chemmater.1c03815.

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• Liu, F., Qin, X., Han, B., Chan, C., Ma, C., Leung, T., Chen, W., He, Y., Lončarić, I., Grisanti, L., Ovčar, J., Skoko, Ž., Shi, Y., Ling, F., Huqe, M., Zapien, J., Wang, S., Su, C., Jeng, U., Wong, K., Ng, A., Gu, M., Popović, J. & Djurišić, A. (2021) Enhanced Light Emission Performance of Mixed Cation Perovskite Films—The Effect of Solution Stoichiometry on Crystallization. Advanced optical materials, 9 (21), 2100393, 8 doi:10.1002/adom.202100393.

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• Grisanti, L., Sapunar, M., Hassanali, A. & Došlić, N. (2020) Toward Understanding Optical Properties of Amyloids: A Reaction Path and Nonadiabatic Dynamics Study. Journal of the American Chemical Society, 142 (42), 18042-18049 doi:10.1021/jacs.0c07134.

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• Tam, H., Leung, T., Sun, W., Liu, F., Ma, C., Kam, C., Lončarić, I., Grisanti, L., Ovčar, J., Skoko, Ž., Popović, J. & Đurisic, A. (2020) Phase control for quasi-2D blue emitters by spacer cation engineering. Journal of Materials Chemistry C, 8, 11052-11060 doi:10.1039/d0tc01631d.

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• Jong, K., Azar, Y., Grisanti, L., Stephens, A., Jones, S., Credgington, D., Kaminski Schierle, G. & Hassanali, A. (2019) Low energy optical excitations as an indicator of structural changes initiated at the termini of amyloid proteins. PCCP. Physical chemistry chemical physics, 21 (43), 23931-23942 doi:10.1039/c9cp04648h.

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• Leung, T., Tam, H., Liu, F., Lin, J., Ng, A., Chan, W., Chen, W., He, Z., Lončarić, I., Grisanti, L., Ma, C., Wong, K., Lau, Y., Zhu, F., Skoko, Ž., Popović, J. & Djurišić, A. (2019) Mixed Spacer Cation Stabilization of Blue‐Emitting n = 2 Ruddlesden–Popper Organic–Inorganic Halide Perovskite Films. Advanced optical materials, 8 (4), 1901679, 11 doi:10.1002/adom.201901679.

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• Qaisrani, M., Grisanti, L., Gebauer, R. & Hassanali, A. (2019) Structural and dynamical heterogeneities at glutamine–water interfaces. PCCP. Physical chemistry chemical physics, 21 (29), 16083-16094 doi:10.1039/c9cp02259g.

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• Rusishvili, M., Grisanti, L., Laporte, S., Micciarelli, M., Rosa, M., Robbins, R., Collins, T., Magistrato, A. & Baroni, S. (2019) Unraveling the molecular mechanisms of color expression in anthocyanins. PCCP. Physical chemistry chemical physics, 21 (17), 8757-8766 doi:10.1039/c9cp00747d.

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• Jong, K., Ansari, N., Grisanti, L. & Hassanali, A. (2018) Understanding the quantum mechanical properties of hydrogen bonds in solvated biomolecules from cluster calculations. Journal of molecular liquids, 263, 501-509 doi:10.1016/j.molliq.2018.05.011.

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• Grisanti, L., Pinotsi, D., Gebauer, R., Kaminski Schierle, G. & Hassanali, A. (2017) A computational study on how structure influences the optical properties in model crystal structures of amyloid fibrils. Physical Chemistry Chemical Physics, 19 (5), 4030-4040 doi:10.1039/c6cp07564a.

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• Jong, K., Grisanti, L. & Hassanali, A. (2017) Hydrogen Bond Networks and Hydrophobic Effects in the Amyloid β30–35 Chain in Water: A Molecular Dynamics Study. Journal of Chemical Information and Modeling, 57 (7), 1548-1562 doi:10.1021/acs.jcim.7b00085.

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• Musumeci, C., Osella, S., Ferlauto, L., Niedzialek, D., Grisanti, L., Bonacchi, S., Jouaiti, A., Milita, S., Ciesielski, A., Beljonne, D., Hosseini, M. & Samorì, P. (2016) Influence of the supramolecular order on the electrical properties of 1D coordination polymers based materials. Nanoscale, 8 (4), 2386-2394 doi:10.1039/c5nr07776a.

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• Döbbelin, M., Ciesielski, A., Haar, S., Osella, S., Bruna, M., Minoia, A., Grisanti, L., Mosciatti, T., Richard, F., Prasetyanto, E., De Cola, L., Palermo, V., Mazzaro, R., Morandi, V., Lazzaroni, R., Ferrari, A., Beljonne, D. & Samorì, P. (2016) Light-enhanced liquid-phase exfoliation and current photoswitching in graphene–azobenzene composites. Nature Communications, 7 (1), 11090, 10 doi:10.1038/ncomms11090.

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• Pinotsi, D., Grisanti, L., Mahou, P., Gebauer, R., Kaminski, C., Hassanali, A. & Kaminski Schierle, G. (2016) Proton Transfer and Structure-Specific Fluorescence in Hydrogen Bond-Rich Protein Structures. Journal of the American Chemical Society, 138 (9), 3046-3057 doi:10.1021/jacs.5b11012.

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• Ratcliff, L., Grisanti, L., Genovese, L., Deutsch, T., Neumann, T., Danilov, D., Wenzel, W., Beljonne, D. & Cornil, J. (2015) Toward Fast and Accurate Evaluation of Charge On-Site Energies and Transfer Integrals in Supramolecular Architectures Using Linear Constrained Density Functional Theory (CDFT)-Based Methods. Journal of Chemical Theory and Computation, 11 (5), 2077-2086 doi:10.1021/acs.jctc.5b00057.

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• Grisanti, L., Olivier, Y., Wang, L., Athanasopoulos, S., Cornil, J. & Beljonne, D. (2013) Roles of local and nonlocal electron-phonon couplings in triplet exciton diffusion in the anthracene crystal. Physical Review B, 88 (3), 035450, 8 doi:10.1103/physrevb.88.035450.

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• Guasch, J., Grisanti, L., Jung, S., Morales, D., D’Avino, G., Souto, M., Fontrodona, X., Painelli, A., Renz, F., Ratera, I. & Veciana, J. (2013) Bistability of Fc-PTM-Based Dyads: The Role of the Donor Strength. Chemistry of Materials, 25 (5), 808-814 doi:10.1021/cm400147p.

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• Guasch, J., Grisanti, L., Souto, M., Lloveras, V., Vidal-Gancedo, J., Ratera, I., Painelli, A., Rovira, C. & Veciana, J. (2013) Intra- and Intermolecular Charge Transfer in Aggregates of Tetrathiafulvalene-Triphenylmethyl Radical Derivatives in Solution. Journal of the American Chemical Society, 135 (18), 6958-6967 doi:10.1021/ja400281b.

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• Sissa, C., Calabrese, V., Cavazzini, M., Grisanti, L., Terenziani, F., Quici, S. & Painelli, A. (2012) Tuning the Nature of the Fluorescent State: A Substituted Polycondensed Dye as a Case Study. Chemistry - A European Journal, 19 (3), 924-935 doi:10.1002/chem.201202154.

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• Guasch, J., Grisanti, L., Lloveras, V., Vidal-Gancedo, J., Souto, M., Morales, D., Vilaseca, M., Sissa, C., Painelli, A., Ratera, I., Rovira, C. & Veciana, J. (2012) Induced Self-Assembly of a Tetrathiafulvalene-Based Open-Shell Dyad through Intramolecular Electron Transfer. Angewandte Chemie International Edition, 51 (44), 11024-11028 doi:10.1002/anie.201203448.

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• Grisanti, L., Terenziani, F., Sissa, C., Cavazzini, M., Rizzo, F., Orlandi, S. & Painelli, A. (2011) Polar Fluorenes and Spirobifluorenes: Fluorescence and Fluorescence Anisotropy Spectra. The Journal of Physical Chemistry B, 115 (39), 11420-11430 doi:10.1021/jp206592s.

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• Todescato, F., Fortunati, I., Carlotto, S., Ferrante, C., Grisanti, L., Sissa, C., Painelli, A., Colombo, A., Dragonetti, C. & Roberto, D. (2011) Dimers of polar chromophores in solution: role of excitonic interactions in one- and two-photon absorption properties. Physical Chemistry Chemical Physics, 13 (23), 11099-11109 doi:10.1039/c0cp02736g.

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• Girlando, A., Grisanti, L., Masino, M., Bilotti, I., Brillante, A., Della Valle, R. & Venuti, E. (2010) Peierls and Holstein carrier-phonon coupling in crystalline rubrene. Physical Review B, 82 (3), 035208, 8 doi:10.1103/physrevb.82.035208.

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• D'Avino, G., Grisanti, L., Painelli, A., Guasch, J., Ratera, I. & Veciana, J. (2009) Cooperativity from electrostatic interactions: understanding bistability in molecular crystals. Crystengcomm, 11 (10), 2040-2047 doi:10.1039/b907184a.

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• Grisanti, L., Sissa, C., Terenziani, F., Painelli, A., Roberto, D., Tessore, F., Ugo, R., Quici, S., Fortunati, I., Garbin, E., Ferrante, C. & Bozio, R. (2009) Enhancing the efficiency of two-photon absorption by metal coordination. Physical Chemistry Chemical Physics, 11 (41), 9450-9457 doi:10.1039/b911268e.

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• Grisanti, L., D’Avino, G., Painelli, A., Guasch, J., Ratera, I. & Veciana, J. (2009) Essential State Models for Solvatochromism in Donor−Acceptor Molecules: The Role of the Bridge. The Journal of Physical Chemistry B, 113 (14), 4718-4725 doi:10.1021/jp809771d.

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• D’Avino, G., Grisanti, L., Guasch, J., Ratera, I., Veciana, J. & Painelli, A. (2008) Bistability in Fc-PTM Crystals: The Role of Intermolecular Electrostatic Interactions. Journal of the American Chemical Society, 130 (36), 12064-12072 doi:10.1021/ja803049g.

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