Download or read book Theoretical Studies on the Chemical Characteristics of Transition Metal Complexes written by Kazuyuki Tatsumi and published by . This book was released on 1976 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Theoretical Aspects of Transition Metal Catalysis written by Gernot Frenking and published by Springer Science & Business Media. This book was released on 2005-06-23 with total page 284 pages. Available in PDF, EPUB and Kindle. Book excerpt: Transition metal catalysis belongs to the most important chemical research areas because a ubiquitous number of chemical reactions are catalyzed by transition metal compounds. Many efforts are being made by industry and academia to find new and more efficient catalysts for chemical processes. Transition metals play a prominent role in catalytic research because they have been proven to show an enormous diversity in lowering the activation barrier for chemical reactions. For many years, the search for new catalysts was carried out by trial and error, which was costly and time consuming. The understanding of the mechanism of the catalytic process is often not very advanced because it is difficult to study the elementary steps of the catalysis with experimental techniques. The development of modern quantum chemical methods for calculating possible intermediates and transition states was a breakthrough in gaining an understanding of the reaction pathways of transition metal catalyzed reactions. This volume, organized into eight chapters written by leading scientists in the field, illustrates the progress made during the last decade. The reader will obtain a deep insight into the present state of quantum chemical research in transition metal catalysis.
Download or read book Transition Metals in Coordination Environments written by Ewa Broclawik and published by Springer. This book was released on 2019-03-16 with total page 532 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Theoretical Studies on the Electronic Properties and the Chemical Bonding of Transition Metal Complexes Using Dft and Ligand Field Theory written by and published by . This book was released on with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book The Chemistry of Coordination Complexes and Transition Metals written by P.L. Soni and published by CRC Press. This book was released on 2021-05-14 with total page 332 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book covers all important nomenclature, theories of bonding and stereochemistry of coordination complexes. The authors have made an effort to inscribe the ideas knowledge, clearly and in an interesting way to benefit the readers. The complexities of Molecular Orbital theory have been explained in a very simple and easy manner. It also deals with transition and inner transition metals. Conceptually, all transition and inner transition elements form complexes which have definite geometry and show interesting properties. General and specific methods of preparation, physical and chemical properties of each element has been discussed at length. Group wise study of elements in d-block series have been explained. Important compounds, complexes and organometallic compounds of metals in different oxidation states have been given explicitly. Note: T&F does not sell or distribute the Hardback in India, Pakistan, Nepal, Bhutan, Bangladesh and Sri Lanka.
Download or read book Quantum Chemistry The Challenge of Transition Metals and Coordination Chemistry written by A. Veillard and published by Springer Science & Business Media. This book was released on 1986-05-31 with total page 550 pages. Available in PDF, EPUB and Kindle. Book excerpt: Over the last twenty years, developments of the ab initio metho dologies and of the computing capacities have progressively turned quantum chemistry into a predictive tool for molecular systems involving only light elements. The situation appears less advanced for systems containing transition metal elements where specific difficulties arise, like those 1inked to the quasi-degeneracy of the lowest atomic states. Correlation effects, which are important only for quantitative accuracy in the treatment of molecules made of light elements, need sometimes to be considered even for a qualitative des cription of transition metals systems (like the multiple metal-metal bond). The treatment of atoms of a high atomic number has necessited the development of model potential methods. These difficulties ex acerbate for systems containing several trans ition atoms a correct description of the dichromium molecule Crz still represents a challenge to quantum chemists. Yet many advances have been made recently in the theoretical treatment of these systems, despite the fact that our understanding still remains disparate with a variety of models and methodologies used more or less successfully (one-electron models, explicitly correlated ab initio methods, density functional formalisms). For these reasons, a NATO Advanced Research Workshop was organized to review in detail the state-of-the-art techniques and at the same time the most common applications. These encompass many fields including the spectroscopy of diatomics and small aggregates, structure and reactivity problems in organometallic chemistry, the cluster surface analogy with its implications for heterogeneous catalysis and the description of extended structures.
Download or read book Machine Learning in Chemistry written by Jon Paul Janet and published by American Chemical Society. This book was released on 2020-05-28 with total page 189 pages. Available in PDF, EPUB and Kindle. Book excerpt: Recent advances in machine learning or artificial intelligence for vision and natural language processing that have enabled the development of new technologies such as personal assistants or self-driving cars have brought machine learning and artificial intelligence to the forefront of popular culture. The accumulation of these algorithmic advances along with the increasing availability of large data sets and readily available high performance computing has played an important role in bringing machine learning applications to such a wide range of disciplines. Given the emphasis in the chemical sciences on the relationship between structure and function, whether in biochemistry or in materials chemistry, adoption of machine learning by chemistsderivations where they are important
Download or read book On Being Well coordinated written by Fred Basolo and published by World Scientific. This book was released on 2003 with total page 654 pages. Available in PDF, EPUB and Kindle. Book excerpt: This invaluable book distils the research accomplishments of Professor Fred Basolo during the five decades when he served as a world leader in the modern renaissance of inorganic chemistry. Its primary focus is on the very important area of chemistry known as coordination chemistry.Most of the elements in the periodic table are metals, and most of the chemistry of metals involves coordination chemistry. This is the case in the currently significant areas of research, including organometallic homogenous catalysis, biological reactions of metalloproteins, and even the solid state extended structures of new materials. In these systems, the metals are of primary importance because they are the sites of ligand substitution or redox reactions. In the solid materials, the coordination number of the metal and its stereochemistry are of major importance.Some fifty years of research on transition metal complexes carried out in the laboratory of Professor Basolo at Northwestern University is recorded here as selected scientific publications. The book is divided into three different major research areas, each dealing with some aspect of coordination chemistry. In each case, introductory remarks are presented which indicate what prompted the research projects and what the major accomplishments were. Although the research was of the academic, curiosity-driven type, some aspects have proven to be useful to others involved in projects that were much more applied in nature.
Download or read book Theoretical Studies of Some Transition Metal Complexes written by Geoffrey E. Quelch and published by . This book was released on 1988 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Quantum Chemistry The Challenge of Transition Metals and Coordination Chemistry written by A. Veillard and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 518 pages. Available in PDF, EPUB and Kindle. Book excerpt: Over the last twenty years, developments of the ab initio metho dologies and of the computing capacities have progressively turned quantum chemistry into a predictive tool for molecular systems involving only light elements. The situation appears less advanced for systems containing transition metal elements where specific difficulties arise, like those 1inked to the quasi-degeneracy of the lowest atomic states. Correlation effects, which are important only for quantitative accuracy in the treatment of molecules made of light elements, need sometimes to be considered even for a qualitative des cription of transition metals systems (like the multiple metal-metal bond). The treatment of atoms of a high atomic number has necessited the development of model potential methods. These difficulties ex acerbate for systems containing several trans ition atoms a correct description of the dichromium molecule Crz still represents a challenge to quantum chemists. Yet many advances have been made recently in the theoretical treatment of these systems, despite the fact that our understanding still remains disparate with a variety of models and methodologies used more or less successfully (one-electron models, explicitly correlated ab initio methods, density functional formalisms). For these reasons, a NATO Advanced Research Workshop was organized to review in detail the state-of-the-art techniques and at the same time the most common applications. These encompass many fields including the spectroscopy of diatomics and small aggregates, structure and reactivity problems in organometallic chemistry, the cluster surface analogy with its implications for heterogeneous catalysis and the description of extended structures.
Download or read book A Theoretical Study of the Electronic Structure of Transition metal Complexes written by James W. Richardson and published by . This book was released on 1956 with total page 128 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Electronic Structure and Properties of Transition Metal Compounds written by Isaac B. Bersuker and published by John Wiley & Sons. This book was released on 2010-12-01 with total page 658 pages. Available in PDF, EPUB and Kindle. Book excerpt: With more than 40% new and revised materials, this second edition offers researchers and students in the field a comprehensive understanding of fundamental molecular properties amidst cutting-edge applications. Including ~70 Example-Boxes and summary notes, questions, exercises, problem sets, and illustrations in each chapter, this publication is also suitable for use as a textbook for advanced undergraduate and graduate students. Novel material is introduced in description of multi-orbital chemical bonding, spectroscopic and magnetic properties, methods of electronic structure calculation, and quantum-classical modeling for organometallic and metallobiochemical systems. This is an excellent reference for chemists, researchers and teachers, and advanced undergraduate and graduate students in inorganic, coordination, and organometallic chemistry.
Download or read book Molecular Electronic Structures of Transition Metal Complexes I written by David Michael P. Mingos and published by Springer Science & Business Media. This book was released on 2012-01-13 with total page 227 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Theoretical Studies of Transition Metal Complexes and Surfaces written by Shen-Shu Sung and published by . This book was released on 1984 with total page 238 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book An Introduction to Transition metal Chemistry written by Leslie E. Orgel and published by . This book was released on 1960 with total page 188 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Experimental and Theoretical Studies of the Spectral Properties of Some First Row Transition Metal Complexes written by William Frederick Cooper and published by . This book was released on 1971 with total page 386 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Spectroscopy and Electronic Structure of Transition Metal Complexes written by Dimitrios A. Pantazis and published by . This book was released on 2019-11-19 with total page 500 pages. Available in PDF, EPUB and Kindle. Book excerpt: The combination of spectroscopy and theory has developed considerably in the past two decades. Computational techniques and theoretical analysis to extract electronic structure information from spectroscopy has become a crucial aspect of modern research in chemistry and materials science. This book provides a comprehensive and up-to-date resource on spectroscopic methods used in transition metal chemistry and explains the relationships between experimental techniques and electronic structure. Chapters cover topics including computational chemistry; ligand field theory; magnetochemistry; and optical, vibrational, NMR and EPR spectroscopy. Edited and written by world experts in the field, this unique volume is valuable to students of all levels and serves as a reference for researchers in physical inorganic chemistry, (bio)inorganic chemistry and spectroscopy.
