Structure of functionalized porous metal-organic frameworks by molecular orbital methods

Journal of Molecular Structure: THEOCHEM

Volumn 716, Issue 1-3, 2005, Pages 33-38

  Braga, Claudia F ^a   Longo, Ricardo L ^a  

^a FEDERAL UNIVERSITY OF PERNAMBUCO   (Brazil)

Author keywords

Ab initio; Semiempirical; Vibrational spectra; 4 oxo

Indexed keywords

METAL DERIVATIVE; ORGANIC COMPOUND;

AB INITIO CALCULATION; ARTICLE; CALCULATION; CHEMICAL STRUCTURE; CORRELATION ANALYSIS; ELECTRONICS; POROSITY;

EID: 14744277424     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.08.037     Document Type: Article

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