Computing Charging and Polarization Energies of Small Organic Molecules Embedded into Amorphous Materials with Quantum Accuracy-Reference-Cited by-同舟云学术

Computing Charging and Polarization Energies of Small Organic Molecules Embedded into Amorphous Materials with Quantum Accuracy

Published:2021-05-26 Issue:6 Volume:17 Page:3727-3738
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Armleder Jonas¹,Strunk Timo²,Symalla Franz²,Friederich Pascal²³^ORCID,Enrique Olivares Peña Jorge¹,Neumann Tobias²,Wenzel Wolfgang¹,Fediai Artem¹^ORCID

Affiliation:

1. Institute of Nanotechnology, Karlsruhe Institute of Technology, 76344 Karlsruhe, Germany

2. Nanomatch GmbH, Griesbachstraße 5, 76185 Karlsruhe, Germany

3. Institute of Theoretical Informatics, Karlsruhe Institute of Technology, 76344 Karlsruhe, Germany

Funder

Deutsche Forschungsgemeinschaft

H2020 Marie Sklodowska-Curie Actions

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c00036

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