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The simultaneous recognition mechanism of cations and anions using macrocyclic-iodine structures: insights from dispersion-corrected DFT calculations.

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Title: The simultaneous recognition mechanism of cations and anions using macrocyclic-iodine structures: insights from dispersion-corrected DFT calculations.
Authors: Orenha RP; Núcleo de Pesquisas em Ciências Exatas e Tecnológicas, Universidade de Franca, Franca, SP, Brazil. rpo9@hotmail.com renato.parreira@unifran.edu.br., Nagurniak GR; Universidade Federal de Santa Catarina, Departamento de Ciências Exatas e da Educação, Blumenau, SC, Brazil., Colaço MC; Departamento de Química, Universidade Federal de Santa Catarina, Campus Universitário Trindade, CP 476, Florianópolis, SC 88040-900, Brazil., Caramori GF; Departamento de Química, Universidade Federal de Santa Catarina, Campus Universitário Trindade, CP 476, Florianópolis, SC 88040-900, Brazil., Piotrowski MJ; Department of Physics, Federal University of Pelotas, P.O. Box 354, Pelotas, Brazil., de Araújo Batista KE; Department of Physics, Federal University of Pelotas, P.O. Box 354, Pelotas, Brazil., Muñoz-Castro A; Laboratorio de Química Inorgánica y Materiales Moleculares, Facultad de Ingenieria, Universidad Autonoma de Chile, Llano Subercaceaux, 2801, San Miguel, Santiago, Chile., de Almeida Silva B; Núcleo de Pesquisas em Ciências Exatas e Tecnológicas, Universidade de Franca, Franca, SP, Brazil. rpo9@hotmail.com renato.parreira@unifran.edu.br., Esteves BJ; Núcleo de Pesquisas em Ciências Exatas e Tecnológicas, Universidade de Franca, Franca, SP, Brazil. rpo9@hotmail.com renato.parreira@unifran.edu.br., Parreira RLT; Núcleo de Pesquisas em Ciências Exatas e Tecnológicas, Universidade de Franca, Franca, SP, Brazil. rpo9@hotmail.com renato.parreira@unifran.edu.br.
Source: Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2020 Nov 07; Vol. 22 (41), pp. 23795-23803. Date of Electronic Publication: 2020 Oct 16.
Publication Type: Journal Article
Journal Info: Publisher: Royal Society of Chemistry Country of Publication: England NLM ID: 100888160 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1463-9084 (Electronic) Linking ISSN: 14639076 NLM ISO Abbreviation: Phys Chem Chem Phys Subsets: MEDLINE; PubMed not MEDLINE
Database: MEDLINE Ultimate
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  Data: The simultaneous recognition mechanism of cations and anions using macrocyclic-iodine structures: insights from dispersion-corrected DFT calculations.
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  Data: <searchLink fieldCode="AU" term="%22Orenha+RP%22">Orenha RP</searchLink>; Núcleo de Pesquisas em Ciências Exatas e Tecnológicas, Universidade de Franca, Franca, SP, Brazil. rpo9@hotmail.com renato.parreira@unifran.edu.br.<br /><searchLink fieldCode="AU" term="%22Nagurniak+GR%22">Nagurniak GR</searchLink>; Universidade Federal de Santa Catarina, Departamento de Ciências Exatas e da Educação, Blumenau, SC, Brazil.<br /><searchLink fieldCode="AU" term="%22Colaço+MC%22">Colaço MC</searchLink>; Departamento de Química, Universidade Federal de Santa Catarina, Campus Universitário Trindade, CP 476, Florianópolis, SC 88040-900, Brazil.<br /><searchLink fieldCode="AU" term="%22Caramori+GF%22">Caramori GF</searchLink>; Departamento de Química, Universidade Federal de Santa Catarina, Campus Universitário Trindade, CP 476, Florianópolis, SC 88040-900, Brazil.<br /><searchLink fieldCode="AU" term="%22Piotrowski+MJ%22">Piotrowski MJ</searchLink>; Department of Physics, Federal University of Pelotas, P.O. Box 354, Pelotas, Brazil.<br /><searchLink fieldCode="AU" term="%22de+Araújo+Batista+KE%22">de Araújo Batista KE</searchLink>; Department of Physics, Federal University of Pelotas, P.O. Box 354, Pelotas, Brazil.<br /><searchLink fieldCode="AU" term="%22Muñoz-Castro+A%22">Muñoz-Castro A</searchLink>; Laboratorio de Química Inorgánica y Materiales Moleculares, Facultad de Ingenieria, Universidad Autonoma de Chile, Llano Subercaceaux, 2801, San Miguel, Santiago, Chile.<br /><searchLink fieldCode="AU" term="%22de+Almeida+Silva+B%22">de Almeida Silva B</searchLink>; Núcleo de Pesquisas em Ciências Exatas e Tecnológicas, Universidade de Franca, Franca, SP, Brazil. rpo9@hotmail.com renato.parreira@unifran.edu.br.<br /><searchLink fieldCode="AU" term="%22Esteves+BJ%22">Esteves BJ</searchLink>; Núcleo de Pesquisas em Ciências Exatas e Tecnológicas, Universidade de Franca, Franca, SP, Brazil. rpo9@hotmail.com renato.parreira@unifran.edu.br.<br /><searchLink fieldCode="AU" term="%22Parreira+RLT%22">Parreira RLT</searchLink>; Núcleo de Pesquisas em Ciências Exatas e Tecnológicas, Universidade de Franca, Franca, SP, Brazil. rpo9@hotmail.com renato.parreira@unifran.edu.br.
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  Data: <searchLink fieldCode="JN" term="%22100888160%22">Physical chemistry chemical physics : PCCP</searchLink> [Phys Chem Chem Phys] 2020 Nov 07; Vol. 22 (41), pp. 23795-23803. <i>Date of Electronic Publication: </i>2020 Oct 16.
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22Royal+Society+of+Chemistry%22">Royal Society of Chemistry </searchLink><i>Country of Publication: </i>England <i>NLM ID: </i>100888160 <i>Publication Model: </i>Print-Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1463-9084 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2214639076%22">14639076 </searchLink><i>NLM ISO Abbreviation: </i>Phys Chem Chem Phys <i>Subsets: </i>MEDLINE; PubMed not MEDLINE
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              Text: 2020 Nov 07
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