The Interplay of Theory and Experiment in Inorganic Chemistry PDF Download
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Author: Bruce Edward Bursten
Publisher:
ISBN:
Category : Chemistry, Inorganic
Languages : en
Pages : 1076
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Book Description
Author: Bruce Edward Bursten
Publisher:
ISBN:
Category : Chemistry, Inorganic
Languages : en
Pages : 1076
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Book Description
Author: John K. Gibson
Publisher: John Wiley & Sons
ISBN: 1119115523
Category : Science
Languages : en
Pages : 534
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Book Description
A review of contemporary actinide research that focuses on new advances in experiment and theory, and the interplay between these two realms Experimental and Theoretical Approaches to Actinide Chemistry offers a comprehensive review of the key aspects of actinide research. Written by noted experts in the field, the text includes information on new advances in experiment and theory and reveals the interplay between these two realms. The authors offer a multidisciplinary and multimodal approach to the nature of actinide chemistry, and explore the interplay between multiple experiments and theory, as well as between basic and applied actinide chemistry. The text covers the basic science used in contemporary studies of the actinide systems, from basic synthesis to state-of-the-art spectroscopic and computational techniques. The authors provide contemporary overviews of each topic area presented and describe the current and anticipated experimental approaches for the field, as well as the current and future computational chemistry and materials techniques. In addition, the authors explore the combination of experiment and theory. This important resource: Provides an essential resource the reviews the key aspects of contemporary actinide research Includes information on new advances in experiment and theory, and the interplay between the two Covers the basic science used in contemporary studies of the actinide systems, from basic synthesis to state-of-the-art spectroscopic and computational techniques Focuses on the interplay between multiple experiments and theory, as well as between basic and applied actinide chemistry Written for academics, students, professionals and researchers, this vital text contains a thorough review of the key aspects of actinide research and explores the most recent advances in experiment and theory.
Author: Craig Hill
Publisher: Springer
ISBN: 9400755481
Category : Science
Languages : en
Pages : 247
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Book Description
Complexity occurs in biological and synthetic systems alike. This general phenomenon has been addressed in recent publications by investigators in disciplines ranging from chemistry and biology to psychology and philosophy. Studies of complexity for molecular scientists have focussed on breaking symmetry, dissipative processes, and emergence. Investigators in the social and medical sciences have focused on neurophenomenology, cognitive approaches and self-consciousness. Complexity in both structure and function is inherent in many scientific disciplines of current significance and also in technologies of current importance that are rapidly evolving to address global societal needs. Several of these multifaceted scientific disciplines are addressed in this book including complexity from the general and philosophical perspective, magnetic phenomena, control of self assembly and function in large multicomponent clusters, application of theory to probe structure and mechanism in highly complex molecular species, and the design of multifunctional nanoscale molecules of value in decontamination and solar fuels research. Each chapter is both a review and addresses some ongoing challenges, thus each should provide a good preparation for further work in these highly active areas of research endeavour.
Author: E W Abel
Publisher: Royal Society of Chemistry
ISBN: 1847554091
Category : Science
Languages : en
Pages : 498
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Book Description
Organometallic chemistry is an interdisciplinary science which continues to grow at a rapid pace. Although there is continued interest in synthetic and structural studies the last decade has seen a growing interest in the potential of organometallic chemistry to provide answers to problems in catalysis synthetic organic chemistry and also in the development of new materials. This Specialist Periodical Report aims to reflect these current interests reviewing progress in theoretical organometallic chemistry, main group chemistry, the lanthanides and all aspects of transition metal chemistry. Specialist Periodical Reports provide systematic and detailed review coverage of progress in the major areas of chemical research. Written by experts in their specialist fields the series creates a unique service for the active research chemist, supplying regular critical in-depth accounts of progress in particular areas of chemistry. For over 80 years the Royal Society of Chemistry and its predecessor, the Chemical Society, have been publishing reports charting developments in chemistry, which originally took the form of Annual Reports. However, by 1967 the whole spectrum of chemistry could no longer be contained within one volume and the series Specialist Periodical Reports was born. The Annual Reports themselves still existed but were divided into two, and subsequently three, volumes covering Inorganic, Organic and Physical Chemistry. For more general coverage of the highlights in chemistry they remain a 'must'. Since that time the SPR series has altered according to the fluctuating degree of activity in various fields of chemistry. Some titles have remained unchanged, while others have altered their emphasis along with their titles; some have been combined under a new name whereas others have had to be discontinued. The current list of Specialist Periodical Reports can be seen on the inside flap of this volume.
Author: Marcel Swart
Publisher: John Wiley & Sons
ISBN: 1118898303
Category : Science
Languages : en
Pages : 472
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Book Description
It has long been recognized that metal spin states play a central role in the reactivity of important biomolecules, in industrial catalysis and in spin crossover compounds. As the fields of inorganic chemistry and catalysis move towards the use of cheap, non-toxic first row transition metals, it is essential to understand the important role of spin states in influencing molecular structure, bonding and reactivity. Spin States in Biochemistry and Inorganic Chemistry provides a complete picture on the importance of spin states for reactivity in biochemistry and inorganic chemistry, presenting both theoretical and experimental perspectives. The successes and pitfalls of theoretical methods such as DFT, ligand-field theory and coupled cluster theory are discussed, and these methods are applied in studies throughout the book. Important spectroscopic techniques to determine spin states in transition metal complexes and proteins are explained, and the use of NMR for the analysis of spin densities is described. Topics covered include: DFT and ab initio wavefunction approaches to spin states Experimental techniques for determining spin states Molecular discovery in spin crossover Multiple spin state scenarios in organometallic reactivity and gas phase reactions Transition-metal complexes involving redox non-innocent ligands Polynuclear iron sulfur clusters Molecular magnetism NMR analysis of spin densities This book is a valuable reference for researchers working in bioinorganic and inorganic chemistry, computational chemistry, organometallic chemistry, catalysis, spin-crossover materials, materials science, biophysics and pharmaceutical chemistry.
Author: A.J.L. Pombeiro
Publisher: Springer Science & Business Media
ISBN: 9401116288
Category : Science
Languages : en
Pages : 652
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Book Description
The use of electrochemical techniques by chemists, particularly those who regard themselves as "inorganic" coordination chemists, has undergone a very rapid growth in the last 15-20 years. The techniques, as dassically applied to inorganic species, had their origins in analytical chemistry, and the methodology had assumed, until the mid 60s, more importance than the chemiStry. However, the growth of interest in coordination compounds (including organometallic complexes) having unusually rich of electron-transfer in bio-inorganic redox properties, and in the understanding species, has propelfed electro-chemistry into the foreground of potentially readily available techniques for application to a very wide range of problems of interest to those chemists. This growth has been fuelled additionally by the availability of relatively cheap equipment of growing sophistication and by an increase in the "inorganic" chemists' general knowledge of physical electrochemistry. In particular, with increasing availability and sophistication of eqUipment, kinetic problems are now being addressed, and the range of electrode types and configuration and solvents has been greatly expanded. Furthermore, the rapid expansion of interest in biological problems has opened new avenues in functionalisation of electrodes, in the development of sensory devices and, in a sense, a return to the analytical base of the science, using novel and multi-disciplinary techniques drawing on synthesis chemistry of and electronic micro-engeneering. The drive towards increasing use microcomputer-controlled data analysis and the development of microeledrodes has opened exciting new avenues for the exploration of chemical reactions involving electron-transfer processes.
Author: Nikolas Kaltsoyannis
Publisher: Springer Science & Business Media
ISBN: 9783540218616
Category : Chemistry
Languages : en
Pages : 264
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Book Description
E. Clot, O. Eisenstein: Agostic Interactions from a Computational Perspective: One Name, many Interpretations.- Robert J. Deet: Recent Developments in Computational Bioinorganic Chemistry.- E. Ruiz: Theoretical Study of the Exchange Coupling in Large Polynuclear Transition Metal Complexes Using DFT Methods.- D. Sánches-Portal, P. Ordejón, E. Canadell: Computing the Properties of Materials from First Principles with SIESTA.- F. Corà, M. Alfredsson, G. Mallia, D.S. Middlemiss, W.C. Mackrodt, R. Dovesi, R. Orlando: The Performance of Hybrid Density Functionals in Solid State Chemistry
Author: Pierre Delhaes
Publisher: Springer Science & Business Media
ISBN: 1489920919
Category : Science
Languages : en
Pages : 488
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Book Description
The research of unitary concepts in solid state and molecular chemistry is of current interest for both chemist and physicist communities. It is clear that due to their relative simplicity, low dimensional materials have attracted most of the attention. Thus, many non-trivial problems were solved in chain systems, giving some insight into the behavior of real systems which would otherwise be untractable. The NATO Advanced Research Workshop on "Organic and Inorganic Low-Dimensional Crystalline Materials" was organized to review the most striking electronic properties exhibited by organic and inorganic sytems whose space dimensionality ranges from zero (Od) to one (1d), and to discuss related scientific and technological potentials. The initial objectives of this Workshop were, respectively: i) To research unitary concepts in solid state physics, in particular for one dimensional compounds, ii) To reinforce, through a close coupling between theory and experiment, the interplay between organic and inorganic chemistry, on the one hand, and solid state physics on the other, iii) To get a salient understanding of new low-dimensional materials showing "exotic" physical properties, in conjunction with structural features.
Author: N. Kaltsoyannis
Publisher: Springer
ISBN: 3540409661
Category : Science
Languages : en
Pages : 252
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Book Description
It is difficult to overestimate the impact that density functional theory has had on computational quantum chemistry over the last two decades. Indeed, this period has seen it grow from little more than a theoreticalcuriosity to become a central tool in the computational chemist s armoury. Arguably no area of ch- istry has benefited more from the meteoric rise in density functional theory than inorganic chemistry. the ability to obtainreliable results in feasible ti- scales on systems containing heavy elements such as the d and f transition - tals has led to an enormous growth in computational inorganic chemistry. The inorganic chemical literature reflects this growth; it is almost impossible to open a modern inorganic chemistry journal without finding several papers devoted exclusively or in part to density functional theory calculations. The real imp- tance of the rise in density functional theory in inorganic chemistry is undou- edly the much closer synergy between theory and experiment than was p- viously posible. In these volumes, world-leading researchers describe recent developments in the density functional theory and its applications in modern inorganic and b- inorganic chemistry. These articles address key issues key issues in both sol- state and molecular inorganic chemistry, such as spectroscopy, mechanisms, catalysis, bonding and magnetism. The articles in volume I are more focussed on advances in density functional methodogy, while those in Volume II deal more with applications, although this is by no means a rigid distinction.
Author: D. W. H. Rankin
Publisher: John Wiley & Sons
ISBN: 1118462882
Category : Science
Languages : en
Pages : 606
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Book Description
Determining the structure of molecules is a fundamental skill that all chemists must learn. Structural Methods in Molecular Inorganic Chemistry is designed to help readers interpret experimental data, understand the material published in modern journals of inorganic chemistry, and make decisions about what techniques will be the most useful in solving particular structural problems. Following a general introduction to the tools and concepts in structural chemistry, the following topics are covered in detail: • computational chemistry • nuclear magnetic resonance spectroscopy • electron paramagnetic resonance spectroscopy • Mössbauer spectroscopy • rotational spectra and rotational structure • vibrational spectroscopy • electronic characterization techniques • diffraction methods • mass spectrometry The final chapter presents a series of case histories, illustrating how chemists have applied a broad range of structural techniques to interpret and understand chemical systems. Throughout the textbook a strong connection is made between theoretical topics and the real world of practicing chemists. Each chapter concludes with problems and discussion questions, and a supporting website contains additional advanced material. Structural Methods in Molecular Inorganic Chemistry is an extensive update and sequel to the successful textbook Structural Methods in Inorganic Chemistry by Ebsworth, Rankin and Cradock. It is essential reading for all advanced students of chemistry, and a handy reference source for the professional chemist.
