Electronic Properties of Iron Sites and Their Active Forms in Porphyrin-Type Architectures
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Publisher
Springer Berlin Heidelberg
Link
http://link.springer.com/content/pdf/10.1007/978-3-642-28554-7_21
Reference206 articles.
1. Adler, T.B., Knizia, G., Werner, H.J.: A simple and efficient CCSD(T)-F12 approximation. J. Chem. Phys. 127(22), 221106 (2007), doi:10.1063/1.2817618
2. Ali, M.E., Sanyal, B., Oppeneer, P.M.: Electronic structure, spin-states, and spin-crossover reaction of heme-related Fe-porphyrins: A theoretical perspective. J. Phys. Chem. B. 116(20), 5849–5859 (2012), doi:10.1021/jp3021563
3. Altun, A., Shaik, S., Thiel, W.: What is the active species of cytochrome P450 during camphor hydroxylation? QM/MM studies of different electronic states of compound I and of reduced and oxidized iron-oxo intermediates. J. Am. Chem. Soc. 129(29), 8978–8987 (2007), doi:10.1021/ja066847y
4. Altun, A., Kumar, D., Neese, F., Thiel, W.: Multireference ab initio quantum mechanics/molecular mechanics study on intermediates in the catalytic cycle of cytochrome P450cam. J. Phys. Chem. A 112, 12,904–12,910 (2008), doi:10.1021/jp802092w
5. Andersson, K., Malmqvist, P.Å., Roos, B.O.: Second-order perturbation theory with a complete active self-consistent field reference function. J. Chem. Phys. 96(2), 1218–1226 (1991)
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