Towards first-principles molecular design of liquid crystal-based chemoresponsive systems

Nematic liquid crystals have potential as sensors for various molecules. Here, the authors present a computational chemistry model for describing the detection of a warfare agent by liquid crystals, opening the door for the atomic-scale design of sensitive and selective chemoresponsive systems.

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Autores principales:	Luke T. Roling, Jessica Scaranto, Jeffrey A. Herron, Huaizhe Yu, Sangwook Choi, Nicholas L. Abbott, Manos Mavrikakis
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2016
Materias:	Science Q
Acceso en línea:	https://doaj.org/article/8c77c56b8448484fb984a0b4ccba335a
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spelling	oai:doaj.org-article:8c77c56b8448484fb984a0b4ccba335a2021-12-02T15:35:44ZTowards first-principles molecular design of liquid crystal-based chemoresponsive systems10.1038/ncomms133382041-1723https://doaj.org/article/8c77c56b8448484fb984a0b4ccba335a2016-11-01T00:00:00Zhttps://doi.org/10.1038/ncomms13338https://doaj.org/toc/2041-1723Nematic liquid crystals have potential as sensors for various molecules. Here, the authors present a computational chemistry model for describing the detection of a warfare agent by liquid crystals, opening the door for the atomic-scale design of sensitive and selective chemoresponsive systems.Luke T. RolingJessica ScarantoJeffrey A. HerronHuaizhe YuSangwook ChoiNicholas L. AbbottManos MavrikakisNature PortfolioarticleScienceQENNature Communications, Vol 7, Iss 1, Pp 1-7 (2016)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q Luke T. Roling Jessica Scaranto Jeffrey A. Herron Huaizhe Yu Sangwook Choi Nicholas L. Abbott Manos Mavrikakis Towards first-principles molecular design of liquid crystal-based chemoresponsive systems
description	Nematic liquid crystals have potential as sensors for various molecules. Here, the authors present a computational chemistry model for describing the detection of a warfare agent by liquid crystals, opening the door for the atomic-scale design of sensitive and selective chemoresponsive systems.
format	article
author	Luke T. Roling Jessica Scaranto Jeffrey A. Herron Huaizhe Yu Sangwook Choi Nicholas L. Abbott Manos Mavrikakis
author_facet	Luke T. Roling Jessica Scaranto Jeffrey A. Herron Huaizhe Yu Sangwook Choi Nicholas L. Abbott Manos Mavrikakis
author_sort	Luke T. Roling
title	Towards first-principles molecular design of liquid crystal-based chemoresponsive systems
title_short	Towards first-principles molecular design of liquid crystal-based chemoresponsive systems
title_full	Towards first-principles molecular design of liquid crystal-based chemoresponsive systems
title_fullStr	Towards first-principles molecular design of liquid crystal-based chemoresponsive systems
title_full_unstemmed	Towards first-principles molecular design of liquid crystal-based chemoresponsive systems
title_sort	towards first-principles molecular design of liquid crystal-based chemoresponsive systems
publisher	Nature Portfolio
publishDate	2016
url	https://doaj.org/article/8c77c56b8448484fb984a0b4ccba335a
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Towards first-principles molecular design of liquid crystal-based chemoresponsive systems

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