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Structural Aspects of the Ortho Chloro- and Fluoro- Substituted Benzoic Acids: Implications on Chemical Properties

This article presents a detailed comprehensive investigation of the ortho fluoro- and chloro- substituted benzoic acids both, as isolated molecules and in the crystalline phase. Quantum chemical calculations performed within the density functional theory (DFT) formalism are used to investigate the p...

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Detalhes bibliográficos
Publicado no:Molecules
Main Authors: Ogruc Ildiz, Gulce, Fausto, Rui
Formato: Artigo
Idioma:Inglês
Publicado em: MDPI 2020
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7660354/
https://ncbi.nlm.nih.gov/pubmed/33114074
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules25214908
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