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This content will become publicly available on January 19, 2019

Title: Computational Chemistry-Guided Design of Selective Chemoresponsive Liquid Crystals Using Pyridine and Pyrimidine Functional Groups

Authors:
 [1] ; ORCiD logo [1] ;  [2] ; ORCiD logo [2] ; ORCiD logo [1] ; ORCiD logo [1]
  1. Department of Chemical and Biological Engineering, University of Wisconsin-Madison, 1415 Engineering Drive Madison WI 53706-1607 USA
  2. Department of Chemistry and Biochemistry, Kent State University, 1175 Risman Drive Kent OH 44242 USA
Publication Date:
Grant/Contract Number:
AC02-06CH11357; AC02-05CH11231
Type:
Publisher's Accepted Manuscript
Journal Name:
Advanced Functional Materials
Additional Journal Information:
Journal Name: Advanced Functional Materials Journal Volume: 28 Journal Issue: 13; Journal ID: ISSN 1616-301X
Publisher:
Wiley Blackwell (John Wiley & Sons)
Sponsoring Org:
USDOE
Country of Publication:
Germany
Language:
English
OSTI Identifier:
1417497

Yu, Huaizhe, Szilvási, Tibor, Rai, Prabin, Twieg, Robert J., Mavrikakis, Manos, and Abbott, Nicholas L.. Computational Chemistry-Guided Design of Selective Chemoresponsive Liquid Crystals Using Pyridine and Pyrimidine Functional Groups. Germany: N. p., Web. doi:10.1002/adfm.201703581.
Yu, Huaizhe, Szilvási, Tibor, Rai, Prabin, Twieg, Robert J., Mavrikakis, Manos, & Abbott, Nicholas L.. Computational Chemistry-Guided Design of Selective Chemoresponsive Liquid Crystals Using Pyridine and Pyrimidine Functional Groups. Germany. doi:10.1002/adfm.201703581.
Yu, Huaizhe, Szilvási, Tibor, Rai, Prabin, Twieg, Robert J., Mavrikakis, Manos, and Abbott, Nicholas L.. 2018. "Computational Chemistry-Guided Design of Selective Chemoresponsive Liquid Crystals Using Pyridine and Pyrimidine Functional Groups". Germany. doi:10.1002/adfm.201703581.
@article{osti_1417497,
title = {Computational Chemistry-Guided Design of Selective Chemoresponsive Liquid Crystals Using Pyridine and Pyrimidine Functional Groups},
author = {Yu, Huaizhe and Szilvási, Tibor and Rai, Prabin and Twieg, Robert J. and Mavrikakis, Manos and Abbott, Nicholas L.},
abstractNote = {},
doi = {10.1002/adfm.201703581},
journal = {Advanced Functional Materials},
number = 13,
volume = 28,
place = {Germany},
year = {2018},
month = {1}
}

Works referenced in this record:

Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
journal, January 2005
  • Weigend, Florian; Ahlrichs, Reinhart
  • Physical Chemistry Chemical Physics, Vol. 7, Issue 18, p. 3297-3305
  • DOI: 10.1039/b508541a

Accurate and simple analytic representation of the electron-gas correlation energy
journal, June 1992