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33 Publications
2023 | Journal Article | IST-REx-ID: 12921 | 
Madani, Amiera, and Bartholomäus Pieber. “In Situ Reaction Monitoring in Photocatalytic Organic Synthesis.” ChemCatChem. Wiley, 2023. https://doi.org/10.1002/cctc.202201583.
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2023 | Journal Article | IST-REx-ID: 13251 |
Wei, Yujing, Artem Volosniev, Dusan Lorenc, Ayan A. Zhumekenov, Osman M. Bakr, Mikhail Lemeshko, and Zhanybek Alpichshev. “Bond Polarizability as a Probe of Local Crystal Fields in Hybrid Lead-Halide Perovskites.” The Journal of Physical Chemistry Letters. American Chemical Society, 2023. https://doi.org/10.1021/acs.jpclett.3c01158.
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2023 | Journal Article | IST-REx-ID: 14321 |
Al Hyder, Ragheed, Alberto Cappellaro, Mikhail Lemeshko, and Artem Volosniev. “Achiral Dipoles on a Ferromagnet Can Affect Its Magnetization Direction.” The Journal of Chemical Physics. AIP Publishing, 2023. https://doi.org/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, Anastasiia, Artemii A. Pigidanov, Marina V. Serebryakova, Sergei A. Golyshev, Raisa A. Galiullina, Nina V. Chichkova, and Andrey B. Vartapetian. “Phytaspase Is Capable of Detaching the Endoplasmic Reticulum Retrieval Signal from Tobacco Calreticulin-3.” International Journal of Molecular Sciences. MDPI, 2023. https://doi.org/10.3390/ijms242216527.
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2023 | Journal Article | IST-REx-ID: 14831 |
Sakref, Yann, Maitane Muñoz Basagoiti, Zorana Zeravcic, and Olivier Rivoire. “On Kinetic Constraints That Catalysis Imposes on Elementary Processes.” The Journal of Physical Chemistry B. American Chemical Society, 2023. https://doi.org/10.1021/acs.jpcb.3c04627.
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2023 | Journal Article | IST-REx-ID: 13044 |
Mondal, Soumyadip, Rajesh B Jethwa, Bhargavi Pant, Robert Hauschild, and Stefan Alexander Freunberger. “Singlet Oxygen in Non-Aqueous Oxygen Redox: Direct Spectroscopic Evidence for Formation Pathways and Reliability of Chemical Probes.” Faraday Discussions. Royal Society of Chemistry, 2023. https://doi.org/10.1039/d3fd00088e.
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2022 | Journal Article | IST-REx-ID: 12938 |
Gamper, Jakob, Florian Kluibenschedl, Alexander K. H. Weiss, and Thomas S. Hofer. “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. Royal Society of Chemistry, 2022. https://doi.org/10.1039/d2cp03921d.
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2022 | Journal Article | IST-REx-ID: 12249 |
Cheng, Bingqing. “Computing Chemical Potentials of Solutions from Structure Factors.” The Journal of Chemical Physics. AIP Publishing, 2022. https://doi.org/10.1063/5.0107059.
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2022 | Journal Article | IST-REx-ID: 11400 |
Palaia, Ivan, and Anđela Šarić. “Controlling Cluster Size in 2D Phase-Separating Binary Mixtures with Specific Interactions.” The Journal of Chemical Physics. AIP Publishing, 2022. https://doi.org/10.1063/5.0087769.
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2020 | Journal Article | IST-REx-ID: 12939 |
Karg, Cornelia A., Pengyu Wang, Florian Kluibenschedl, Thomas Müller, Lars Allmendinger, Angelika M. Vollmar, and Simone Moser. “Phylloxanthobilins Are Abundant Linear Tetrapyrroles from Chlorophyll Breakdown with Activities against Cancer Cells.” European Journal of Organic Chemistry. Wiley, 2020. https://doi.org/10.1002/ejoc.202000692.
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2020 | Journal Article | IST-REx-ID: 8587 |
Li, Xiang, Enderalp Yakaboylu, Giacomo Bighin, Richard Schmidt, Mikhail Lemeshko, and Andreas Deuchert. “Intermolecular Forces and Correlations Mediated by a Phonon Bath.” The Journal of Chemical Physics. AIP Publishing, 2020. https://doi.org/10.1063/1.5144759.
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2019 | Journal Article | IST-REx-ID: 8412
Shannon, Matthew D., Theint Theint, Dwaipayan Mukhopadhyay, Krystyna Surewicz, Witold K. Surewicz, Dominique Marion, Paul Schanda, and Christopher P. Jaroniec. “Conformational Dynamics in the Core of Human Y145Stop Prion Protein Amyloid Probed by Relaxation Dispersion NMR.” ChemPhysChem. Wiley, 2019. https://doi.org/10.1002/cphc.201800779.
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2019 | Journal Article | IST-REx-ID: 8411
Marion, Dominique, Diego F. Gauto, Isabel Ayala, Karine Giandoreggio-Barranco, and Paul Schanda. “Microsecond Protein Dynamics from Combined Bloch-McConnell and Near-Rotary-Resonance R1p Relaxation-Dispersion MAS NMR.” ChemPhysChem. Wiley, 2019. https://doi.org/10.1002/cphc.201800935.
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2018 | Journal Article | IST-REx-ID: 10361
Michaels, Thomas C.T., Anđela Šarić, Johnny Habchi, Sean Chia, Georg Meisl, Michele Vendruscolo, Christopher M. Dobson, and Tuomas P.J. Knowles. “Chemical Kinetics for Bridging Molecular Mechanisms and Macroscopic Measurements of Amyloid Fibril Formation.” Annual Review of Physical Chemistry. Annual Reviews, 2018. https://doi.org/10.1146/annurev-physchem-050317-021322.
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2017 | Journal Article | IST-REx-ID: 8446
Fraga, Hugo, Charles‐Adrien Arnaud, Diego F. Gauto, Maxime Audin, Vilius Kurauskas, Pavel Macek, Carsten Krichel, 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. Wiley, 2017. https://doi.org/10.1002/cphc.201700572.
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2017 | Journal Article | IST-REx-ID: 13383
Ahrens, Johannes, Tong Bian, Tom Vexler, and Rafal Klajn. “Irreversible Bleaching of Donor-Acceptor Stenhouse Adducts on the Surfaces of Magnetite Nanoparticles.” ChemPhotoChem. Wiley, 2017. https://doi.org/10.1002/cptc.201700009.
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2017 | Journal Article | IST-REx-ID: 14006
Baykusheva, Denitsa Rangelova, and Hans Jakob Wörner. “Theory of Attosecond Delays in Molecular Photoionization.” The Journal of Chemical Physics. AIP Publishing, 2017. https://doi.org/10.1063/1.4977933.
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2017 | Journal Article | IST-REx-ID: 15158 |
Michael, Alicia K., Jennifer L. Fribourgh, Russell N. Van Gelder, and Carrie L. Partch. “Animal Cryptochromes: Divergent Roles in Light Perception, Circadian Timekeeping and Beyond.” Photochemistry and Photobiology. Wiley, 2017. https://doi.org/10.1111/php.12677.
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2016 | Journal Article | IST-REx-ID: 10376 |
Šarić, Anđela, Thomas C. T. Michaels, Alessio Zaccone, Tuomas P. J. Knowles, and Daan Frenkel. “Kinetics of Spontaneous Filament Nucleation via Oligomers: Insights from Theory and Simulation.” The Journal of Chemical Physics. American Institute of Physics, 2016. https://doi.org/10.1063/1.4965040.
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2016 | Journal Article | IST-REx-ID: 10380 |
Wirnsberger, P., D. Fijan, Anđela Šarić, M. Neumann, C. Dellago, and D. Frenkel. “Non-Equilibrium Simulations of Thermally Induced Electric Fields in Water.” The Journal of Chemical Physics. American Institute of Physics, 2016. https://doi.org/10.1063/1.4953036.
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2016 | Journal Article | IST-REx-ID: 8453
Kurauskas, Vilius, Emmanuelle Weber, Audrey Hessel, Isabel Ayala, Dominique Marion, and Paul Schanda. “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. American Chemical Society, 2016. https://doi.org/10.1021/acs.jpcb.6b06129.
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2016 | Journal Article | IST-REx-ID: 13389
Udayabhaskararao, T., Pintu K. Kundu, Johannes Ahrens, and Rafal Klajn. “Reversible Photoisomerization of Spiropyran on the Surfaces of Au25 Nanoclusters.” ChemPhysChem. Wiley, 2016. https://doi.org/10.1002/cphc.201500897.
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2016 | Other Publication | IST-REx-ID: 13388 |
Udayabhaskararao, T., Pintu K. Kundu, Johannes Ahrens, and Rafal Klajn. Inside Cover: Reversible Photoisomerization of Spiropyran on the Surfaces of Au25 Nanoclusters (ChemPhysChem 12/2016). ChemPhysChem. Vol. 17. Wiley, 2016. https://doi.org/10.1002/cphc.201600480.
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2015 | Journal Article | IST-REx-ID: 13397 |
Singh, Gurvinder, Henry Chan, T. Udayabhaskararao, Elijah Gelman, Davide Peddis, Artem Baskin, Gregory Leitus, Petr Král, and Rafal Klajn. “Magnetic Field-Induced Self-Assembly of Iron Oxide Nanocubes.” Faraday Discussions. Royal Society of Chemistry, 2015. https://doi.org/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, Denitsa Rangelova, Peter M. Kraus, Song Bin Zhang, Nina Rohringer, and Hans Jakob Wörner. “The Sensitivities of High-Harmonic Generation and Strong-Field Ionization to Coupled Electronic and Nuclear Dynamics.” Faraday Discussions. Royal Society of Chemistry, 2014. https://doi.org/10.1039/c4fd00018h.
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2014 | Journal Article | IST-REx-ID: 14019
Vasilatou, K., J. M. Michaud, Denitsa Rangelova Baykusheva, G. Grassi, and F. Merkt. “The Cyclopropene Radical Cation: Rovibrational Level Structure at Low Energies from High-Resolution Photoelectron Spectra.” The Journal of Chemical Physics. AIP Publishing, 2014. https://doi.org/10.1063/1.4890744.
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2011 | Journal Article | IST-REx-ID: 8470
Huber, Matthias, Sebastian Hiller, Paul Schanda, Matthias Ernst, Anja Böckmann, René Verel, and Beat H. Meier. “A Proton-Detected 4D Solid-State NMR Experiment for Protein Structure Determination.” ChemPhysChem. Wiley, 2011. https://doi.org/10.1002/cphc.201100062.
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2010 | Journal Article | IST-REx-ID: 10128
Šarić, Anđela, T. Hrenar, M. Mališ, and N. Došlić. “Quantum Mechanical Study of Secondary Structure Formation in Protected Dipeptides.” Physical Chemistry Chemical Physics. Royal Society of Chemistry , 2010. https://doi.org/10.1039/b923041f.
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2008 | Journal Article | IST-REx-ID: 10392
Šarić, Anđela, Valerije Vrček, and Michael Bühl. “Density Functional Study of Protonated Formylmetallocenes.” Organometallics. American Chemical Society, 2008. https://doi.org/10.1021/om700916f.
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2006 | Journal Article | IST-REx-ID: 13430
Fialkowski, Marcin, Kyle J. M. Bishop, Rafal Klajn, Stoyan K. Smoukov, Christopher J. Campbell, and Bartosz A. Grzybowski. “Principles and Implementations of Dissipative (Dynamic) Self-Assembly.” The Journal of Physical Chemistry B. American Chemical Society, 2006. https://doi.org/10.1021/jp054153q.
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