High-level ab initio calculations on the energetics of low-lying spin states of biologically relevant transition metal complexes: a first progress report-Reference-Cited by-同舟云学术

High-level ab initio calculations on the energetics of low-lying spin states of biologically relevant transition metal complexes: a first progress report

Published:2003-02 Issue:1 Volume:7 Page:113-124
ISSN:1367-5931
Container-title:Current Opinion in Chemical Biology
language:en
Short-container-title:Current Opinion in Chemical Biology

Author:

Ghosh Abhik,Taylor Peter R

Publisher

Elsevier BV

Subject

Biochemistry,Analytical Chemistry

Reference35 articles.

1. High-valent transition metal centers and noninnocent ligands in metalloporphyrins and related molecules: a broad overview based on quantum chemical calculations;Ghosh;J. Biol. Inorg. Chem.,2001

2. Transition-metal systems in biochemistry studied by high-accuracy quantum chemical methods;Siegbahn;Chem. Rev.,2000

3. Jensen F: Introduction to Computational Chemistry. Chichester; New York: Wiley; 1999:1-429.

4. Ghosh A, Taylor PR: Ab initio multiconfiguration reference perturbation theory calculations on the energetics of low-energy spin states of iron(III) porphyrins. J Biol Inorg Chem, in press.

5. Iron octaethyltetraazaporphyrins - synthesis, characterization, coordination chemistry, and comparisons to related iron porphyrins and phthalocyanines;Fitzgerald;Inorg. Chem.,1992

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