## Abstract An overview of the computational efforts made by our group during the last few years in the field of nonheme diiron proteins is presented. Through application of __ab initio__ methodology to a reasonable set of molecular models, significant progress is made in understanding how the solu
Computational Investigation of Photochemical Reaction Mechanisms
β Scribed by Lluis Blancafort; Francois Ogliaro; Massimo Olivucci; Michael A. Robb; Michael J. Bearpark; Adalgisa Sinicropi
- Publisher
- John Wiley and Sons
- Year
- 2006
- Weight
- 8 KB
- Volume
- 37
- Category
- Article
- ISSN
- 0931-7597
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β¦ Synopsis
Abstract
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## Photolysis of [Mo(CN) 8 ] 4Οͺ in the presence of diethylenetriamine (dien) leads to the complexation of ligand via hydrogen in the stoichiometry 2:1. The mechanism of the complexation was investigated by spectroscopy absorption and the rate constants and the quantum yield determined. Rate consta