Structural Model Proposition and Thermodynamic and Vibrational Analysis of Hydrotalcite-Like Compounds by DFT Calculations

Author:

Costa Deyse G.1,Rocha Alexandre B.1,Diniz Renata1,Souza Wladmir F.1,Chiaro Sandra Shirley X.1,Leitão Alexandre A.1

Affiliation:

1. Departamento de Química, Universidade Federal de Juiz de Fora, Juiz de Fora, MG 36036-330, Brazil, Instituto de Química, Departamento de Físico-Química, Universidade Federal do Rio de Janeiro, Av. Athos da Silveira Ramos, 149 Bloco A, Cidade Universitária, Rio de Janeiro, RJ 21941-909, Brazil, and PETROBRAS-CENPES, Ilha do Fundão, Rio de Janeiro, RJ 21941-915, Brazil

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

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