Predicting experimental complexation-induced changes in NMR chemical shift for complexes between metalloporphyrins and ligands using the Ab initio/GIAO-HF methodology

Author:

Gomila Rosa M.,Quiñonero David,Garau Carolina,Frontera Antonio,Ballester Pau,Costa Antonio,Deyà Pere M.

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Cited by 7 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献

1. Adventures of Quantum Chemistry in the Realm of Inorganic Chemistry;Techniques in Inorganic Chemistry;2010-07-16

2. Metal-mediated multiporphyrin functional assemblies;Journal of Porphyrins and Phthalocyanines;2009-04

3. NMR spectra of some reduced symmetry peripheral fused-ring-substituted phthalocyanines: Density functional calculations;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2007-07

4. The molecular structure and vibrational spectra of corrolazine metal complexes (CzM) by density functional theory;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2006-06

5. NMR spectra of free-base porphine, porphyrazine, phthalocyanine and naphthalocyanine as well as their metal complexes: Density functional calculations;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2006-05

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