Energetic and topological supramolecular study and nucleation proposal for halogenated aryl amides

Author:

Teixeira Campos Patrick1ORCID,Machado Rodrigues Gabriel1ORCID,Pereira Afonso Luiza1,Uecker Krüger Vanessa1ORCID,Siqueira da Silva Rubia Mara1ORCID,Milani Marcéo Auler2ORCID

Affiliation:

1. Laboratório de Química Orgânica Sintética, Estrutural e Computacional (LaQuiOSEC), Instituto Federal Sul-rio-grandense, IFSul, 96015-360 Pelotas, Rio Grande do Sul, Brazil

2. Instituto Federal de Educação, Ciência e Tecnologia Farroupilha – Campus Alegrete, 97555-000 Rio Grande do Sul, Brazil

Abstract

The current investigation provides energetic and contact surface data on intermolecular interactions, correlates theoretical data with experimental data and suggests a proposal for nucleation for halogenated aryl amides.

Funder

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Fundação de Amparo à Pesquisa do Estado do Rio Grande do Sul

Publisher

Royal Society of Chemistry (RSC)

Subject

Condensed Matter Physics,General Materials Science,General Chemistry

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