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33 Publications
2023 | Journal Article | IST-REx-ID: 12921 | 
Madani A, Pieber B. In situ reaction monitoring in photocatalytic organic synthesis. ChemCatChem. 2023;15(7). doi:10.1002/cctc.202201583
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2023 | Journal Article | IST-REx-ID: 13251 |
Wei Y, Volosniev A, Lorenc D, et al. Bond polarizability as a probe of local crystal fields in hybrid lead-halide perovskites. The Journal of Physical Chemistry Letters. 2023;14(27):6309-6314. doi:10.1021/acs.jpclett.3c01158
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2023 | Journal Article | IST-REx-ID: 14321 |
Al Hyder R, Cappellaro A, Lemeshko M, Volosniev A. Achiral dipoles on a ferromagnet can affect its magnetization direction. The Journal of Chemical Physics. 2023;159(10). doi:10.1063/5.0165806
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2023 | Journal Article | IST-REx-ID: 14701
Archer LA, Bruce PG, Calvo EJ, Dewar D, Ellison JHJ, Freunberger SA, Gao X, Hardwick LJ, Horwitz G, Janek J, Johnson LR, Jordan JW, Matsuda S, Menkin S, Mondal S, Qiu Q, Samarakoon T, Temprano I, Uosaki K, Vailaya G, Wachsman ED, Wu Y, Ye S. 2023. Towards practical metal–oxygen batteries: General discussion. Faraday Discussions.
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2023 | Journal Article | IST-REx-ID: 14702
Attard GA, Calvo EJ, Curtiss LA, Dewar D, Ellison JHJ, Gao X, Grey CP, Hardwick LJ, Horwitz G, Janek J, Johnson LR, Jordan JW, Matsuda S, Mondal S, Neale AR, Ortiz-Vitoriano N, Temprano I, Vailaya G, Wachsman ED, Wang H-H, Wu Y, Ye S. 2023. Materials for stable metal–oxygen battery cathodes: general discussion. Faraday Discussions.
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2023 | Journal Article | IST-REx-ID: 14776 |
Teplova A, Pigidanov AA, Serebryakova MV, et al. Phytaspase Is capable of detaching the endoplasmic reticulum retrieval signal from tobacco calreticulin-3. International Journal of Molecular Sciences. 2023;24(22). doi:10.3390/ijms242216527
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2023 | Journal Article | IST-REx-ID: 14831 |
Sakref Y, Muñoz Basagoiti M, Zeravcic Z, Rivoire O. On kinetic constraints that catalysis imposes on elementary processes. The Journal of Physical Chemistry B. 2023;127(51):10950-10959. doi:10.1021/acs.jpcb.3c04627
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2023 | Journal Article | IST-REx-ID: 13044 |
Mondal S, Jethwa RB, Pant B, Hauschild R, Freunberger SA. Singlet oxygen in non-aqueous oxygen redox: Direct spectroscopic evidence for formation pathways and reliability of chemical probes. Faraday Discussions. 2023. doi:10.1039/d3fd00088e
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2022 | 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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2022 | Journal Article | IST-REx-ID: 12249 |
Cheng B. Computing chemical potentials of solutions from structure factors. The Journal of Chemical Physics. 2022;157(12). doi:10.1063/5.0107059
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2022 | Journal Article | IST-REx-ID: 11400 |
Palaia I, Šarić A. Controlling cluster size in 2D phase-separating binary mixtures with specific interactions. The Journal of Chemical Physics. 2022;156(19). doi:10.1063/5.0087769
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2020 | Journal Article | IST-REx-ID: 12939 |
Karg CA, Wang P, Kluibenschedl F, et al. Phylloxanthobilins are abundant linear tetrapyrroles from chlorophyll breakdown with activities against cancer cells. European Journal of Organic Chemistry. 2020;2020(29):4499-4509. doi:10.1002/ejoc.202000692
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2020 | Journal Article | IST-REx-ID: 8587 |
Li X, Yakaboylu E, Bighin G, Schmidt R, Lemeshko M, Deuchert A. Intermolecular forces and correlations mediated by a phonon bath. The Journal of Chemical Physics. 2020;152(16). doi:10.1063/1.5144759
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2019 | Journal Article | IST-REx-ID: 8412
Shannon MD, Theint T, Mukhopadhyay D, et al. Conformational dynamics in the core of human Y145Stop prion protein amyloid probed by relaxation dispersion NMR. ChemPhysChem. 2019;20(2):311-317. doi:10.1002/cphc.201800779
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2019 | Journal Article | IST-REx-ID: 8411
Marion D, Gauto DF, Ayala I, Giandoreggio-Barranco K, Schanda P. Microsecond protein dynamics from combined Bloch-McConnell and Near-Rotary-Resonance R1p relaxation-dispersion MAS NMR. ChemPhysChem. 2019;20(2):276-284. doi:10.1002/cphc.201800935
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2018 | Journal Article | IST-REx-ID: 10361
Michaels TCT, Šarić A, Habchi J, et al. Chemical kinetics for bridging molecular mechanisms and macroscopic measurements of amyloid fibril formation. Annual Review of Physical Chemistry. 2018;69(1):273-298. doi:10.1146/annurev-physchem-050317-021322
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2017 | Journal Article | IST-REx-ID: 8446
Fraga H, Arnaud C, Gauto DF, et al. Solid‐state NMR H–N–(C)–H and H–N–C–C 3D/4D correlation experiments for resonance assignment of large proteins. ChemPhysChem. 2017;18(19):2697-2703. doi:10.1002/cphc.201700572
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2017 | Journal Article | IST-REx-ID: 13383
Ahrens J, Bian T, Vexler T, Klajn R. Irreversible bleaching of donor-acceptor stenhouse adducts on the surfaces of magnetite nanoparticles. ChemPhotoChem. 2017;1(5):230-236. doi:10.1002/cptc.201700009
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2017 | Journal Article | IST-REx-ID: 14006
Baykusheva DR, Wörner HJ. Theory of attosecond delays in molecular photoionization. The Journal of Chemical Physics. 2017;146(12). doi:10.1063/1.4977933
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2017 | Journal Article | IST-REx-ID: 15158 |
Michael AK, Fribourgh JL, Van Gelder RN, Partch CL. Animal cryptochromes: Divergent roles in light perception, circadian timekeeping and beyond. Photochemistry and Photobiology. 2017;93(1):128-140. doi:10.1111/php.12677
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2016 | Journal Article | IST-REx-ID: 10376 |
Šarić A, Michaels TCT, Zaccone A, Knowles TPJ, Frenkel D. Kinetics of spontaneous filament nucleation via oligomers: Insights from theory and simulation. The Journal of Chemical Physics. 2016;145(21). doi:10.1063/1.4965040
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2016 | Journal Article | IST-REx-ID: 10380 |
Wirnsberger P, Fijan D, Šarić A, Neumann M, Dellago C, Frenkel D. Non-equilibrium simulations of thermally induced electric fields in water. The Journal of Chemical Physics. 2016;144(22). doi:10.1063/1.4953036
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2016 | Journal Article | IST-REx-ID: 8453
Kurauskas V, Weber E, Hessel A, Ayala I, Marion D, Schanda P. Cross-correlated relaxation of dipolar coupling and chemical-shift anisotropy in magic-angle spinning R1ρ NMR measurements: Application to protein backbone dynamics measurements. The Journal of Physical Chemistry B. 2016;120(34):8905-8913. doi:10.1021/acs.jpcb.6b06129
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2016 | Journal Article | IST-REx-ID: 13389
Udayabhaskararao T, Kundu PK, Ahrens J, Klajn R. Reversible photoisomerization of spiropyran on the surfaces of Au25 nanoclusters. ChemPhysChem. 2016;17(12):1805-1809. doi:10.1002/cphc.201500897
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2016 | Other Publication | IST-REx-ID: 13388 |
Udayabhaskararao T, Kundu PK, Ahrens J, Klajn R. Inside Cover: Reversible Photoisomerization of Spiropyran on the Surfaces of Au25 Nanoclusters (ChemPhysChem 12/2016). Vol 17. Wiley; 2016:1711-1711. doi:10.1002/cphc.201600480
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2015 | Journal Article | IST-REx-ID: 13397 |
Singh G, Chan H, Udayabhaskararao T, et al. Magnetic field-induced self-assembly of iron oxide nanocubes. Faraday Discussions. 2015;181:403-421. doi:10.1039/c4fd00265b
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2015 | Journal Article | IST-REx-ID: 13398
Sun Y, Scarabelli L, Kotov N, Tebbe M, Lin X-M, Brullot W, Isa L, Schurtenberger P, Moehwald H, Fedin I, Velev O, Faivre D, Sorensen C, Perzynski R, Chanana M, Li Z, Bresme F, Král P, Firlar E, Schiffrin D, Souza Junior JB, Fery A, Shevchenko E, Tarhan O, Alivisatos AP, Disch S, Klajn R, Ghosh S. 2015. Field-assisted self-assembly process: General discussion. Faraday Discussions. 181, 463–479.
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2014 | Journal Article | IST-REx-ID: 14018
Baykusheva DR, Kraus PM, Zhang SB, Rohringer N, Wörner HJ. The sensitivities of high-harmonic generation and strong-field ionization to coupled electronic and nuclear dynamics. Faraday Discussions. 2014;171:113-132. doi:10.1039/c4fd00018h
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2014 | Journal Article | IST-REx-ID: 14019
Vasilatou K, Michaud JM, Baykusheva DR, Grassi G, Merkt F. The cyclopropene radical cation: Rovibrational level structure at low energies from high-resolution photoelectron spectra. The Journal of Chemical Physics. 2014;141(6). doi:10.1063/1.4890744
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2011 | Journal Article | IST-REx-ID: 8470
Huber M, Hiller S, Schanda P, et al. A proton-detected 4D solid-state NMR experiment for protein structure determination. ChemPhysChem. 2011;12(5):915-918. doi:10.1002/cphc.201100062
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2010 | 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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2008 | Journal Article | IST-REx-ID: 10392
Šarić A, Vrček V, Bühl M. Density functional study of protonated formylmetallocenes. Organometallics. 2008;27(3):394-401. doi:10.1021/om700916f
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2006 | Journal Article | IST-REx-ID: 13430
Fialkowski M, Bishop KJM, Klajn R, Smoukov SK, Campbell CJ, Grzybowski BA. Principles and implementations of dissipative (dynamic) self-assembly. The Journal of Physical Chemistry B. 2006;110(6):2482-2496. doi:10.1021/jp054153q
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