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Opis

The research withinn this book is conducted in the area of computational methods (density functional theory, quantum mechanics/molecular mechanics) to gain insight into enzyme mechanism and function, as part of Dr. Samuel de Visser's research group. The electronic and catalytic properties of iron porphyrin complexes is thoroughly investigated. In particular, a contribution in the understanding of the trends and reaction mechanisms involved in iron porphyrin complexes is made. As an example, the epoxidation rate constant correlating with the ionization energy of olefins (Chem. Sci. 2015, 6, 1516-1529) was identified. The subtle environmental perturbations affecting spin-state ordering and relative energies in Diiron (III)bisporphyrin complexes (Inorg. Chem. 2015, 54, 1919-1930) is also made comprehensible.

Szczegóły książki

Kategoria Książki po angielsku Mathematics & science Chemistry Physical chemistry

• Pełny tytuł: Electronic and catalytic properties of Metal complexes
• Autor: Mala Sainna Alhaji
• Język: Angielski
• Oprawa: Miękka
• Liczba stron: 292
• EAN: 9783639863550
• ISBN: 3639863550
• ID: 02934003
• Wydawca: Scholars' Press
• Waga: 431 g
• Wymiary: 229 × 152 × 17 mm
• Data wydania: 15. January 2016

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