Through-space spin-spin coupling in acetylenic systems. Ab initio and DFTcalculations

International Journal of Molecular Sciences

Volumn 4, Issue 4, 2003, Pages 193-202

  Bagno, Alessandro ^a   Casella, Girolamo ^b   Saielli, Giacomo ^a   Scorrano, Gianfranco ^a  

^a UNIVERSITY OF PADOVA   (Italy)

^b UNIVERSITY OF PALERMO   (Italy)

Author keywords

Ab initio; DFT; NMR; Through space coupling

Indexed keywords

4 ETHYNYLPHENANTHRENE; ACETYLENE; BENZENE; DIMER; METHANE; PHENANTHRENE DERIVATIVE; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; CHEMICAL STRUCTURE; COMPARATIVE STUDY; COMPLEX FORMATION; CONFORMATION; COVALENT BOND; DENSITY FUNCTIONAL THEORY; ELECTRON SPIN RESONANCE; MOLECULAR INTERACTION; MOLECULAR MODEL;

EID: 3142544716     PISSN: 14220067     EISSN: None     Source Type: Journal    
DOI: 10.3390/i4040193     Document Type: Article

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