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Molekulare Photochemie: Moderne Entwicklungen in der theoretischen Chemie.
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- Angewandte Chemie, 2020, v. 132, n. 39, p. 16976, doi. 10.1002/ange.201916381
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Singlet and Triplet Excited-State Dynamics Study of the Keto and Enol Tautomers of Cytosine.
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- ChemPhysChem, 2013, v. 14, n. 13, p. 2920, doi. 10.1002/cphc.201300370
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Revealing Deactivation Pathways Hidden in Time-Resolved Photoelectron Spectra.
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- Scientific Reports, 2016, p. 35522, doi. 10.1038/srep35522
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Cover Image, Volume 8, Issue 6.
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- WIREs: Computational Molecular Science, 2018, v. 8, n. 6, p. N.PAG, doi. 10.1002/wcms.1400
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Nonadiabatic dynamics: The SHARC approach.
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- WIREs: Computational Molecular Science, 2018, v. 8, n. 6, p. N.PAG, doi. 10.1002/wcms.1370
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Cover Feature: Microgravimetric and Spectroscopic Analysis of Solid−Electrolyte Interphase Formation in Presence of Additives (ChemPhysChem 5/2019).
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- ChemPhysChem, 2019, v. 20, n. 5, p. 646, doi. 10.1002/cphc.201900161
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Microgravimetric and Spectroscopic Analysis of Solid−Electrolyte Interphase Formation in Presence of Additives.
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- ChemPhysChem, 2019, v. 20, n. 5, p. 655, doi. 10.1002/cphc.201801001
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- Article
A Force Field for a Manganese-Vanadium Water Oxidation Catalyst: Redox Potentials in Solution as Showcase.
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- Catalysts (2073-4344), 2021, v. 11, n. 4, p. 493, doi. 10.3390/catal11040493
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- Article
Hydrogen bonding to the electron accepting group controls the absorption spectrum of a push–pull stilbene adsorbed on amorphous silica.
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- Communications Physics, 2024, v. 7, n. 1, p. 1, doi. 10.1038/s42005-024-01755-x
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A general method to describe intersystem crossing dynamics in trajectory surface hopping.
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- International Journal of Quantum Chemistry, 2015, v. 115, n. 18, p. 1215, doi. 10.1002/qua.24891
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PET-based delineation of tumour volumes in lung cancer: comparison with pathological findings.
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- European Journal of Nuclear Medicine & Molecular Imaging, 2013, v. 40, n. 8, p. 1233, doi. 10.1007/s00259-013-2407-x
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- Article
The origin of efficient triplet state population in sulfur-substituted nucleobases.
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- Nature Communications, 2016, v. 7, n. 10, p. 13077, doi. 10.1038/ncomms13077
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Molecular Photochemistry: Recent Developments in Theory.
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- Angewandte Chemie International Edition, 2020, v. 59, n. 39, p. 16832, doi. 10.1002/anie.201916381
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- Article
Excited states of ortho‐nitrobenzaldehyde as a challenging case for single‐ and multi‐reference electronic structure theory.
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- Journal of Computational Chemistry, 2023, v. 44, n. 14, p. 1381, doi. 10.1002/jcc.27093
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Nanoscale Morphological Changes at Lithium Interface, Triggered by the Electrolyte Composition and Electrochemical Cycling.
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- Journal of Chemistry, 2019, p. 1, doi. 10.1155/2019/4102382
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Particle Swarm Contour Search Algorithm.
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- Entropy, 2020, v. 22, n. 4, p. 407, doi. 10.3390/e22040407
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Spectral Signatures of Oxidation States in a Manganese‐Oxo Cubane Water Oxidation Catalyst.
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- Chemistry - A European Journal, 2021, v. 27, n. 68, p. 17078, doi. 10.1002/chem.202102583
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Jahn‐Teller Effects in a Vanadate‐Stabilized Manganese‐Oxo Cubane Water Oxidation Catalyst.
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- Chemistry - A European Journal, 2021, v. 27, n. 68, p. 17066, doi. 10.1002/chem.202102539
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Competing ultrafast photoinduced electron transfer and intersystem crossing of [Re(CO)3(Dmp)(His124)(Trp122)]+ in Pseudomonas aeruginosa azurin: a nonadiabatic dynamics study.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2020, v. 139, n. 3, p. 1, doi. 10.1007/s00214-020-2555-6
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Simulated and Experimental Time-Resolved Photoelectron Spectra of the Intersystem Crossing Dynamics in 2-Thiouracil.
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- Molecules, 2018, v. 23, n. 11, p. 2836, doi. 10.3390/molecules23112836
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Challenges in Simulating Light-Induced Processes in DNA.
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- Molecules, 2017, v. 22, n. 1, p. 49, doi. 10.3390/molecules22010049
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Ruthenium(II) Photosensitizers of Tridentate Click-Derived Cyclometalating Ligands: A Joint Experimental and Computational Study.
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- Chemistry - A European Journal, 2012, v. 18, n. 13, p. 4010, doi. 10.1002/chem.201103451
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Cover Picture: Ruthenium(II) Photosensitizers of Tridentate Click-Derived Cyclometalating Ligands: A Joint Experimental and Computational Study (Chem. Eur. J. 13/2012).
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- Chemistry - A European Journal, 2012, v. 18, n. 13, p. 3785, doi. 10.1002/chem.201290046
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- Article