Predicting experimental complexation-induced changes in 1H NMR chemical shift for complexes between zinc-porphyrins and amines using the ab initio/GIAO-HF methodology

Organic Letters

Volumn 4, Issue 3, 2002, Pages 399-401

  Gomila, Rosa M ^a   Quiñonero, David ^a   Rotger, Carmen ^a   Garau, Carolina ^a   Frontera, Antonio ^a   Ballester, Pablo ^a   Costa, Antonio ^a   Deyà, Pere M ^a  

^a UNIVERSITAT DE LES ILLES BALEARS   (Spain)

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ARTICLE;

EID: 19044373392     PISSN: 15237060     EISSN: None     Source Type: Journal    
DOI: 10.1021/ol0170962     Document Type: Article

References (19)

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11. Geometries and energies for the optimized structures are available upon request by contacting tonif@soller.uib.es.
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16. Synthesis and characterization of 9-13 will be published elsewhere, including the UV-visible absorption titrations.
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