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absorption spectra calculations

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4 results in Keywords: absorption spectra calculations

Theoretical and Computational Chemistry

Machine Learning for Absorption Cross Sections

Bao-Xin Xue, Mario Barbatti, Pavlo O. Dral

Version 2 posted 22 July 2020

722

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Physical Chemistry

Hydride- and Halide-Substituted Au9(PH3)83+ Nanoclusters: Similar Absorption Spectra Disguise Distinct Geometries and Electronic Structures

Yavuz S. Ceylan, Rebecca Gieseking

Version 1 posted 27 January 2021

313

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Theoretical and Computational Chemistry

Multiscale Modeling of Electronic Spectra Including Nuclear Quantum Effects

Péter Fehér, Ádám Madarász, András Stirling

Version 2 posted 17 August 2021

424

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Physical Chemistry

2-in-1 Phase Space Sampling for Calculating the Absorption Spectrum of the Hydrated Electron

László Turi, Bence Baranyi, Ádám Madarász

Version 2 posted 23 April 2024

196

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