Ab initio calculations on first-row transition metal porphyrins Part 2. Ground state spin multiplicities, calculated ionisation potentials and electron affinities and their relation to catalytic activity-Reference-Cited by-同舟云学术

Ab initio calculations on first-row transition metal porphyrins Part 2. Ground state spin multiplicities, calculated ionisation potentials and electron affinities and their relation to catalytic activity

Published:1996-09 Issue: Volume:367 Page:15-24
ISSN:0166-1280
Container-title:Journal of Molecular Structure: THEOCHEM
language:en
Short-container-title:Journal of Molecular Structure: THEOCHEM

Author:

Zwaans R.,van Lenthe J.H.,den Boer D.H.W.

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

Reference43 articles.

1. Ab initio calculations on first-row transition metal porphyrins. Part 1. Geometrical details, charge distributions and the effects of additional charge

2. Decomposition of Cyclohexylperoxide Catalysed by Metalloporphryins;Hansen,1991

3. Porphyrins. XXXII. Absorptions and luminescence of Cr(III) complexes

4. The role of the axial ligand in meso-tetraarylmetalloporphyrin models of the P-450 cytochromes

5. Ab Initio Calculations of Metalloporphyrins

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