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UV/Vis spectroscopy

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4 results in Keywords: UV/Vis spectroscopy

Theoretical and Computational Chemistry

Benchmark of Simplified Time-Dependent Density Functional Theory for UV-Vis Spectral Properties of Porphyrinoids

Kamal Batra, Stefan Zahn, Thomas Heine

Version 2 posted 13 November 2019

1,226

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Analytical Chemistry

Updating and Extending an UV/Vis Spectroscopy-Based Assay for Monitoring of Transformations Between Nucleosides and Nucleobases

Felix Kaspar, Robert T. Giessmann, Sarah Westarp, Katja Hellendahl, Niels Krausch, Isabel Thiele, Miriam C. Walczak, Peter Neubauer, Anke Kurreck

Version 1 posted 30 March 2020

538

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Theoretical and Computational Chemistry

The Photoswitch Dataset: A Molecular Machine Learning Benchmark for the Advancement of Synthetic Chemistry

Aditya Raymond Thawani, Ryan-Rhys Griffiths, Arian Jamasb, Anthony Bourached, Penelope Jones, William McCorkindale, Alexander Aldrick, Alpha Lee

Version 1 posted 06 July 2020

1,458

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3

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Theoretical and Computational Chemistry

Towards Theoretical Spectroscopy with Error Bars: Systematic Quantification of the Structural Sensitivity of Calculated Spectra

Tobias G. Bergmann, Michael O. Welzel, Christoph R. Jacob

Version 2 posted 13 December 2019

656

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