Computational studies on thermo-kinetics aspects of pyrolysis of isopropyl acetate and its methyl, bromide and hydroxyl derivatives. | Heliyon;8(11): e11274, 2022 Nov. | MEDLINE

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Computational studies on thermo-kinetics aspects of pyrolysis of isopropyl acetate and its methyl, bromide and hydroxyl derivatives.

Shojaei, S H Reza; Shiroudi, Abolfazl; Abdel-Rahman, Mohamed A.

Affiliation

Shojaei SHR; Department of Physics, Faculty of Science, Sahand University of Technology, Tabriz, 51335-1996, Iran.
Shiroudi A; X-LAB, Hasselt University, Agoralaan, Diepenbeek, 3590, Belgium.
Abdel-Rahman MA; Research Club, IQneiform Oy, Juva, Finland.

Heliyon ; 8(11): e11274, 2022 Nov.

Article in En | MEDLINE | ID: mdl-36339763

Key words

DFT; Isopropyl acetates; NBO; Pyrolysis; Rate coefficients; Reaction mechanisms

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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: Heliyon Year: 2022 Document type: Article Affiliation country: Iran Country of publication: United kingdom

Search on Google

Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: Heliyon Year: 2022 Document type: Article Affiliation country: Iran Country of publication: United kingdom