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Computational Inorganic and Bioinorganic Chemistry
  • Language: en
  • Pages: 980

Computational Inorganic and Bioinorganic Chemistry

Over the past several decades there have been major advances in our ability to computationally evaluate the electronic structure of inorganic molecules, particularly transition metal systems. This advancement is due to the Moore’s Law increase in computing power as well as the impact of density functional theory (DFT) and its implementation in commercial and freeware programs for quantum chemical calculations. Improved pure and hybrid density functionals are allowing DFT calculations with accuracy comparable to high-level Hartree-Fock treatments, and the results of these calculations can now be evaluated by experiment. When calculations are correlated to, and supported by, experimental dat...

Molecular Electronic Structures of Transition Metal Complexes I
  • Language: en
  • Pages: 227

Molecular Electronic Structures of Transition Metal Complexes I

J.P. Dahl: Carl Johan Ballhausen (1926–2010).- J.R. Winkler and H.B. Gray: Electronic Structures of Oxo-Metal Ions.- C.D. Flint: Early Days in Kemisk Laboratorium IV and Later Studies.- J.H. Palmer: Transition Metal Corrole Coordination Chemistry. A Review Focusing on Electronic Structural Studies.- W.C. Trogler: Chemical Sensing with Semiconducting Metal Phthalocyanines.- K.M. Lancaster: Biological Outer-Sphere Coordination.- R.K. Hocking and E.I. Solomon: Ligand Field and Molecular Orbital Theories of Transition Metal X-ray Absorption Edge Transitions.- K.B. Møller and N.E. Henriksen: Time-resolved X-ray diffraction: The dynamics of the chemical bond.

New and Future Developments in Catalysis
  • Language: en
  • Pages: 493

New and Future Developments in Catalysis

  • Type: Book
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  • Published: 2013-07-19
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  • Publisher: Newnes

New and Future Developments in Catalysis is a package of seven books that compile the latest ideas concerning alternate and renewable energy sources and the role that catalysis plays in converting new renewable feedstock into biofuels and biochemicals. Both homogeneous and heterogeneous catalysts and catalytic processes will be discussed in a unified and comprehensive approach. There will be extensive cross-referencing within all volumes.The use of solar energy during various catalytic chemical processes for the production of an array of chemical products is the theme of this volume. Photocatalysis is a topic of increasing importance due to its essential role in many of today's environmental...

ZnO and Their Hybrid Nano-Structures
  • Language: en
  • Pages: 333

ZnO and Their Hybrid Nano-Structures

ZnO and its hybrid nanostructures have unique optical, physical and chemical properties. The book covers recent trends in processing techniques and applications. Topics include solar cells, photo-voltaic devices, fuel cells, uv filters, lasers, light-emitting diodes, photo-detectors, spin-tronic devices, magnetic semiconductors, nano-generators, piezotronics, photo-catalytic applications against harmful organic pollutants like dyes, heavy metals, antibiotics, and sensors such as bio sensors, chemical sensors, gas sensors. Keywords: ZnO, Nano ZnO, Point Defects, Magnetic Semiconductors, Hybrid Nanostructures, Cell Applications, Nanoadsorbant for Heavy Metal Removals, Diagnostics, ZnO Nano-Carriers, ZnO Thin Films Fabrication.

Metalloproteins
  • Language: en
  • Pages: 279

Metalloproteins

  • Type: Book
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  • Published: 2015-04-17
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  • Publisher: CRC Press

Numerous essential biological functions involve metalloproteins; therefore, understanding metalloproteins and how to manipulate them is significant in the biological and medical fields. An examination of current research, Metalloproteins: Theory, Calculations, and Experiments explores the interplay between theory and experiment, detailing the role

Molecular Electronic Structures of Transition Metal Complexes I
  • Language: en
  • Pages: 227

Molecular Electronic Structures of Transition Metal Complexes I

J.P. Dahl: Carl Johan Ballhausen (1926–2010).- J.R. Winkler and H.B. Gray: Electronic Structures of Oxo-Metal Ions.- C.D. Flint: Early Days in Kemisk Laboratorium IV and Later Studies.- J.H. Palmer: Transition Metal Corrole Coordination Chemistry. A Review Focusing on Electronic Structural Studies.- W.C. Trogler: Chemical Sensing with Semiconducting Metal Phthalocyanines.- K.M. Lancaster: Biological Outer-Sphere Coordination.- R.K. Hocking and E.I. Solomon: Ligand Field and Molecular Orbital Theories of Transition Metal X-ray Absorption Edge Transitions.- K.B. Møller and N.E. Henriksen: Time-resolved X-ray diffraction: The dynamics of the chemical bond.

Genetic Engineering and Genome Editing for Zinc Biofortification of Rice
  • Language: en
  • Pages: 218

Genetic Engineering and Genome Editing for Zinc Biofortification of Rice

Genetic Engineering and Genome Editing for Zinc Biofortification of Rice provides the first single-volume, comprehensive resource on genetic engineering approaches, including novel genome editing techniques, that are carried out in rice, a staple crop for much of the world’s population. Dietary zinc deficiency can lead to negative health outcomes, including increased risk of stunting, respiratory diseases, diarrhea, mortality during childhood, and preterm births in pregnancy. By providing a complete view of the need for zinc biofortification in rice, sections in this book discuss state-of-the-art scientific advances, and then go further, placing them in their proper scientific, regulatory ...

Australian Journal of Chemistry
  • Language: en
  • Pages: 286

Australian Journal of Chemistry

  • Type: Book
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  • Published: 2002
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  • Publisher: Unknown

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Transition Metals in Coordination Environments
  • Language: en
  • Pages: 532

Transition Metals in Coordination Environments

  • Type: Book
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  • Published: 2019-03-16
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  • Publisher: Springer

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. Written by an international group of recognized experts, the book reviews recent advances in computational modeling and discusses their interplay using experiments. It covers a broad range of topics, including advanced computational methods for transition metal systems; spectroscopic, electrochemical and catalytic properties of transition metals in coordination environments; metalloenzymes and biomimetic compounds; and spin-related phenomena. As such, the book offers an invaluable resource for all researchers and postgraduate students interested in both fundamental and application-oriented research in the field of transition metal systems.