Linear response properties of solvated systems: a computational study-Reference-Cited by-同舟云学术

Linear response properties of solvated systems: a computational study

Published:2022 Issue:45 Volume:24 Page:27866-27878
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Goletto Linda¹^ORCID,Gómez Sara²^ORCID,Andersen Josefine H.³^ORCID,Koch Henrik¹²^ORCID,Giovannini Tommaso²^ORCID

Affiliation:

1. Department of Chemistry, Norwegian University of Science and Technology (NTNU), NO-7491 Trondheim, Norway

2. Scuola Normale Superiore, Piazza dei Cavalieri 7, IT-56126 Pisa, PI, Italy

3. DTU Chemistry, Technical University of Denmark, DK-2800 Kongens Lyngby, Denmark

Abstract

We present a computational study of static and dynamic linear polarizabilities in solution by using different multi-layer quantum-embedding approaches also coupled with molecular mechanics force fields.

Funder

H2020 Marie Skłodowska-Curie Actions

Norges Forskningsråd

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D2CP04512E

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