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Environmental Significance of PAH Photoproduct Formation: TiO2 Nanoparticle Influence, Altered Bioavailability, and Potential Photochemical Mechanisms.
Chemosphere. 2024 May 24:142384. doi: 10.1016/j.chemosphere.2024.142384. Online ahead of print.
Chemosphere. 2024.
PMID: 38797205
Inelastic scattering of NO(A2Σ+) + CO2: rotation-rotation pair-correlated differential cross sections.
Leng JG, Sharples TR, Fournier M, McKendrick KG, Craciunescu L, Paterson MJ, Costen ML.
Leng JG, et al. Among authors: craciunescu l.
Faraday Discuss. 2024 May 17. doi: 10.1039/d3fd00162h. Online ahead of print.
Faraday Discuss. 2024.
PMID: 38757419
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Optical Absorption Properties in Pentacene/Tetracene Solid Solutions.
Unger F, Lepple D, Asbach M, Craciunescu L, Zeiser C, Kandolf AF, Fišer Z, Hagara J, Hagenlocher J, Hiller S, Haug S, Deutsch M, Grüninger P, Novák J, Bettinger HF, Broch K, Engels B, Schreiber F.
Unger F, et al. Among authors: craciunescu l.
J Phys Chem A. 2024 Feb 1;128(4):747-760. doi: 10.1021/acs.jpca.3c06737. Epub 2024 Jan 17.
J Phys Chem A. 2024.
PMID: 38232326
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Excited-state van der Waals potential energy surfaces for the NO A2Σ+ + CO2X1Σg+ collision complex.
Craciunescu L, Liane EM, Kirrander A, Paterson MJ.
Craciunescu L, et al.
J Chem Phys. 2023 Sep 28;159(12):124303. doi: 10.1063/5.0165769.
J Chem Phys. 2023.
PMID: 38127380
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Cluster-Based Approach Utilizing Optimally Tuned TD-DFT to Calculate Absorption Spectra of Organic Semiconductor Thin Films.
Craciunescu L, Asbach M, Wirsing S, Hammer S, Unger F, Broch K, Schreiber F, Witte G, Dreuw A, Tegeder P, Fantuzzi F, Engels B.
Craciunescu L, et al.
J Chem Theory Comput. 2023 Dec 26;19(24):9369-9387. doi: 10.1021/acs.jctc.3c01107. Epub 2023 Dec 10.
J Chem Theory Comput. 2023.
PMID: 38073092
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Adsorption Structures Affecting the Electronic Properties and Photoinduced Charge Transfer at Perylene-Based Molecular Interfaces.
Wirsing S, Hänsel M, Craciunescu L, Belova V, Schreiber F, Broch K, Engels B, Tegeder P.
Wirsing S, et al. Among authors: craciunescu l.
Chem Asian J. 2023 Sep 1;18(17):e202300386. doi: 10.1002/asia.202300386. Epub 2023 Jul 24.
Chem Asian J. 2023.
PMID: 37428120
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Accurate Polarization-Resolved Absorption Spectra of Organic Semiconductor Thin Films Using First-Principles Quantum-Chemical Methods: Pentacene as a Case Study.
Craciunescu L, Wirsing S, Hammer S, Broch K, Dreuw A, Fantuzzi F, Sivanesan V, Tegeder P, Engels B.
Craciunescu L, et al.
J Phys Chem Lett. 2022 Apr 28;13(16):3726-3731. doi: 10.1021/acs.jpclett.2c00573. Epub 2022 Apr 20.
J Phys Chem Lett. 2022.
PMID: 35442698
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