The use of molecular electronic structure methods to investigate mechanically interlocked molecules-Reference-Cited by-同舟云学术

The use of molecular electronic structure methods to investigate mechanically interlocked molecules

Published:2023 Issue:29 Volume:25 Page:19409-19421
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Orenha Renato Pereira¹²^ORCID,Caramori Giovanni Finoto¹^ORCID,Parreira Renato Luis Tame²^ORCID,Munoz-Castro Alvaro³^ORCID

Affiliation:

1. Departamento de Química, Universidade Federal de Santa Catarina, Campus Universitário Trindade, CP 476, Florianópolis, SC, 88040-900, Brazil

2. Núcleo de Pesquisas em Ciências Exatas e Tecnológicas, Universidade de Franca, Franca, SP, Brazil

3. Facultad de Ingeniería, Arquitectura y Diseño, Universidad San Sebastián, Bellavista 7, Santiago, 8420524, Chile

Abstract

Mechanically interlocked molecules (MIMs) have been studied using molecular mechanics calculations or molecular dynamics simulations. Here, we have highlighted how molecular electronic structure methods can reveal important properties of MIMs.

Funder

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior

Fundação de Amparo à Pesquisa do Estado de São Paulo

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Fondo Nacional de Desarrollo Científico y Tecnológico

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D3CP02275G

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