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Structural and energetic investigation on the host/guest inclusion process of benzyl isothiocyanate into ß-cyclodextrin using dispersion-corrected DFT calculations.
Bouhadiba, Abdelaziz; Rahali, Seyfeddine; Belhocine, Youghourta; Allal, Hamza; Nouar, Leila; Rahim, Mohamed.
Afiliação
  • Bouhadiba A; Department of Petrochemical and Process Engineering, Faculty of Technology, 20 August 1955 University of Skikda, P.O. Box 26, El Hadaik Road, 21000, Skikda, Algeria; Laboratory of Computational Chemistry and Nanostructures, Department of Material Sciences, Faculty of Mathematical, Informatics and Ma
  • Rahali S; Department of Chemistry, College of Science & Arts at Al-Rass, Qassim University, P.O. 53, Saudi Arabia.
  • Belhocine Y; Department of Petrochemical and Process Engineering, Faculty of Technology, 20 August 1955 University of Skikda, P.O. Box 26, El Hadaik Road, 21000, Skikda, Algeria.
  • Allal H; Department of Technology, Faculty of Technology, 20 August 1955 University of Skikda, P.O. Box 26, El Hadaik Road, 21000, Skikda, Algeria.
  • Nouar L; Laboratory of Computational Chemistry and Nanostructures, Department of Material Sciences, Faculty of Mathematical, Informatics and Material Sciences, University of 08 Mai 1945, Guelma, Algeria.
  • Rahim M; Department of Petrochemical and Process Engineering, Faculty of Technology, 20 August 1955 University of Skikda, P.O. Box 26, El Hadaik Road, 21000, Skikda, Algeria; Laboratory of Computational Chemistry and Nanostructures, Department of Material Sciences, Faculty of Mathematical, Informatics and Ma
Carbohydr Res ; 491: 107980, 2020 May.
Article em En | MEDLINE | ID: mdl-32199172
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Isotiocianatos / Beta-Ciclodextrinas / Teoria da Densidade Funcional Tipo de estudo: Prognostic_studies Idioma: En Ano de publicação: 2020 Tipo de documento: Article
Texto completo
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Isotiocianatos / Beta-Ciclodextrinas / Teoria da Densidade Funcional Tipo de estudo: Prognostic_studies Idioma: En Ano de publicação: 2020 Tipo de documento: Article