Geometry optimization of messo- polyhalogenated (F,Cl, and Br) iron (II) porphyrin using density functional theory

Geometry optimization of messo- polyhalogenated (F,Cl, and Br) iron (II) porphyrin using density functional theory

We performed ab-initio calculations on the geometry optimization of polyhalogenated iron (II) porphyrin using Density Functional Theory. Fluorine, chlorine and bromine were considered as substituents halogen of the iron porphyrin at the messo- positions. Results show that adding halogens (Fluorine,...

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書目詳細資料
Main Authors:	Rabe, R. R., Pobre, Romeric F., Quiroga, R. V.
格式:	text
出版:	Animo Repository 2006
主題:	Density functionals Functional analysis Molecular structure Biological and Chemical Physics Physical Sciences and Mathematics Physics
在線閱讀:	https://animorepository.dlsu.edu.ph/faculty_research/12381
標簽:	添加標簽沒有標簽, 成為第一個標記此記錄!
機構:	De La Salle University

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