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Transition Metals in Coordination Environments Computational Chemistry and Catalysis Viewpoints /
This book focuses on the electronic properties of transition metals in coordination environments. These properties are responsible for the unique and intricate activity of transition metal sites in bio- and inorganic catalysis, but also pose challenges for both theoretical and experimental studies....
| Müşterek Yazar: | |
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| Diğer Yazarlar: | , , |
| Materyal Türü: | e-Kitap |
| Dil: | İngilizce |
| Baskı/Yayın Bilgisi: |
Cham :
Springer International Publishing : Imprint: Springer,
2019.
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| Edisyon: | 1st ed. 2019. |
| Seri Bilgileri: | Challenges and Advances in Computational Chemistry and Physics,
29 |
| Konular: | |
| Online Erişim: | Full-text access OPAC'ta görüntüle |
İçindekiler:
- From the content: Review of the current status of knowledge in the field of recent achievements in computational modeling and their interplay with experiment
- Density matrix renormalization group (DMRG): An emerging method in bioinorganic chemistry
- Approaching magnetic interactions in oligonuclear transition metal clusters with density matrix renormalization group
- New strategies in modelling electronic structures and properties in actinides
- X-ray probes of electronic structure in transition metal complexes
- Electronic spectroscopy of cobalamins studied with density functional theory
- Spin magnetic properties of transition metal complexes
- Computational studies of transition-metal catalysis in biological and non-biological settings
- The role of non-covalent interactions in metal complexes
- Molecular electrochemistry of coordination compounds - a correlation between quantum-chemical calculations and experiment
- Computational modelling of structure and catalytic properties of supported group VI transition metal oxide species
- Catalytic properties of TM in inorganic coordination environments
- Challenges in modeling metalloenzymes and their troubleshooting
- The quest for accurate theoretical models of metalloenzymes: an aid to experiment
- Metal coordination in the active sites of selected metalloenzymes: a theoretical point of view
- Metal - redox-active ligand cooperation in biomimetic transition metal compounds to exhibit metal-centered multi-electron reactivity
- Computational vs. experimental spectroscopy for transition-metals
- The electronic determinants of spin crossover described by density functional theory
- Photodeactivation channels of transition metal complexes: a computational chemistry perspective.