Deep learning for UV absorption spectra with SchNarc: First steps toward transferability in chemical compound space-Reference-Cited by-同舟云学术

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Deep learning for UV absorption spectra with SchNarc: First steps toward transferability in chemical compound space

Published:2020-10-21 Issue:15 Volume:153 Page:154112
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Westermayr J.¹^ORCID,Marquetand P.¹²³^ORCID

Affiliation:

1. Faculty of Chemistry, Institute of Theoretical Chemistry, University of Vienna, Währinger Str. 17, 1090 Vienna, Austria

2. Vienna Research Platform on Accelerating Photoreaction Discovery, University of Vienna, Währinger Str. 17, 1090 Vienna, Austria

3. Faculty of Chemistry, Data Science @ Uni Vienna, University of Vienna, Währinger Str. 29, 1090 Vienna, Austria

Funder

Austrian Science Fund

Universität Wien

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/5.0021915

Reference120 articles.

1. Photosynthetic Light Harvesting by Carotenoids: Detection of an Intermediate Excited State

2. Quantum design of photosynthesis for bio-inspired solar-energy conversion

3. Efficient Deactivation of a Model Base Pair via Excited-State Hydrogen Transfer

4. Thymine Dimerization in DNA Is an Ultrafast Photoreaction

5. Cyclobutane Thymine Photodimerization Mechanism Revealed by Nonadiabatic Molecular Dynamics

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