Virtual Screening for Organic Solar Cells and Light Emitting Diodes
Forero‐Martinez, Nancy C., Lin, Kun‐Han, Kremer, Kurt, Andrienko, Denis
Published in Advanced science (01.07.2022)
Published in Advanced science (01.07.2022)
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Journal Article
Molecular Simulation Strategies for Understanding the Degradation Mechanisms of Acrylic Polymers
Iscen, Aysenur, Forero-Martinez, Nancy C., Valsson, Omar, Kremer, Kurt
Published in Macromolecules (09.05.2023)
Published in Macromolecules (09.05.2023)
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Journal Article
Water Harvesting by Thermoresponsive Ionic Liquids: A Molecular Dynamics Study of the Water Absorption Kinetics and of the Role of Nanostructuring
Forero-Martinez, Nancy C., Cortes-Huerto, Robinson, Ward, Lainey, Ballone, Pietro
Published in The journal of physical chemistry. B (22.06.2023)
Published in The journal of physical chemistry. B (22.06.2023)
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Journal Article
First-Principles Study of the Structural, Electronic, Dynamic, and Mechanical Properties of HOPG and Diamond: Influence of Exchange–Correlation Functionals and Dispersion Interactions
Lechner, Christoph, Pannier, Baptiste, Baranek, Philippe, Forero-Martinez, Nancy C, Vach, Holger
Published in Journal of physical chemistry. C (10.03.2016)
Published in Journal of physical chemistry. C (10.03.2016)
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Journal Article
Temperature dependence of the radiative lifetimes in Ge and Si nanocrystals
Forero-Martinez, Nancy C, Thi Le, Ha-Linh, Ning, Ning, Vach, Holger, Weissker, Hans-Christian
Published in Nanoscale (21.03.2015)
Published in Nanoscale (21.03.2015)
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Journal Article
Temperature dependence of the radiative lifetimes in Ge and Si nanocrystalsElectronic supplementary information (ESI) available: To complement the averaged quantities discussed in the paper, we show individual transition probabilities for both the Kohn-Sham transitions and the TDDFT transitions for the ground-state geometry and for snapshots from the trajectories at finite temperature. Moreover, we show the HOMO and LUMO states for two reconstructed structures to complement the figures in the ar
Forero-Martinez, Nancy C, Thi Le, Ha-Linh, Ning, Ning, Vach, Holger, Weissker, Hans-Christian
Year of Publication 04.03.2015
Year of Publication 04.03.2015
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Journal Article
Hydrogen-induced healing of cluster-damaged silicon surfaces
Le, Ha-Linh Thi, Forero-Martinez, Nancy C., Vach, Holger
Published in Chemical physics letters (28.08.2014)
Published in Chemical physics letters (28.08.2014)
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Journal Article
Solubility study of tobramycin in room temperature ionic liquids: an experimental and computational based studyElectronic supplementary information (ESI) available. See DOI: 10.1039/c6ra23078d
Cunningham, Richard, Forero-Martinez, Nancy C, Hardacre, Christopher, Youngs, Tristan G. A, Migaud, Marie E
Year of Publication 10.11.2016
Year of Publication 10.11.2016
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