Accurate and Efficient Computation of Optical Absorption Spectra of Molecular Crystals: The Case of the Polymorphs of ROY-Reference-Cited by-同舟云学术

Accurate and Efficient Computation of Optical Absorption Spectra of Molecular Crystals: The Case of the Polymorphs of ROY

Published:2021-07-22 Issue:8 Volume:17 Page:5214-5224
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Prentice Joseph C. A.¹²^ORCID,Mostofi Arash A.²^ORCID

Affiliation:

1. Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH, U.K.

2. Department of Materials, Department of Physics, and the Thomas Young Centre for Theory and Simulation of Materials, Imperial College London, London SW7 2AZ, U.K.

Funder

St. Edmund Hall, University of Oxford

Thomas Young Centre

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c00227

Reference63 articles.

1. Recent advances in organic light-emitting diodes: toward smart lighting and displays

2. A review on polymer and organic ferroelectrics for flexible high energy storage material

3. Pharmaceutical cocrystals: along the path to improved medicines

4. All-small-molecule organic solar cells with over 14% efficiency by optimizing hierarchical morphologies

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