Прочая образовательная литература
Различные книги в жанре Прочая образовательная литератураProcess Analytical Technology
The use of real or near real time measurement of chemical production process parameters as the basis for achieving control or optimisation of a manufacturing process has wide application in the petrochemical, food and chemical industries. Process analytical chemistry (PAC), or process analytical technology (PAT) as it has recently been called, is now being deployed in the pharmaceutical industry, where it is seen as a technology that can help companies to improve their conformity with manufacturing compliance regulations. The objective of this book is to provide a starting point for implementing process analytical chemistry tools in process monitoring applications or as part of a total quality management system. Written from the perspective of the spectroscopist required to implant PAT tools in a process environment, attention is focussed on measurements that are made “in process” at-line or off-line, providing data on product during manufacture. With chapters covering the key spectroscopic tools, their applications in the pharmaceutical and chemical industries and basic chemometrics, the novice can quickly develop a sound understanding of the most practical technologies and applications. Implementation strategies are fully covered and address some of the critical issues that need to be tackled when setting up a PAT project – including choosing a project with a sound business justification in the first place.
Topics in Stereochemistry
Topics in Stereochemistry, previously edited by «the father of stereochemistry» Ernest L. Eliel, is a longstanding, successful series covering the most important advances in the field. The much-anticipated Volume 25 includes chapters on the following topics: * Stereochemistry of Molecules in Inclusion Crystals * Torsional Motion of Stilbene-type Molecules in Crystals * Supramolecular Networks of Porphyrins * Homo- and Heterochirality in Crystals * Supramolecular Synthesis of 1D Chains and 2D Layers in Hydrogen Bond Networks of Ureas and 2-D Pyrimidinones * Chiral Auxiliaries Powerful for Both Enantioresolution and Determination of Absolutely Stereochemistry by X-Ray Crystallograph * Engineering Stereospecific Reactoins in Crystals: Synthesis of Compounds with Adjacent Stereogenic Quaternary Centers by Photodecarbonylation of Crystalline Ketones * The CH/ Hydrogen Bond: An Important Molecular Force in Controlling the Crystal Conformation of Organic Compounds and Three-Dimensional Structure of Biopolymers * Stereoselective Thermal Solid-State Reactions * Crystal Structures and Functionalities of Platinum (II) Complexes Controlled by Various Intermolecular Interactions
Beyond Born-Oppenheimer
INTRODUCING A POWERFUL APPROACH TO DEVELOPING RELIABLE QUANTUM MECHANICAL TREATMENTS OF A LARGE VARIETY OF PROCESSES IN MOLECULAR SYSTEMS. The Born-Oppenheimer approximation has been fundamental to calculation in molecular spectroscopy and molecular dynamics since the early days of quantum mechanics. This is despite well-established fact that it is often not valid due to conical intersections that give rise to strong nonadiabatic effects caused by singular nonadiabatic coupling terms (NACTs). In Beyond Born-Oppenheimer, Michael Baer, a leading authority on molecular scattering theory and electronic nonadiabatic processes, addresses this deficiency and introduces a rigorous approach–diabatization–for eliminating troublesome NACTs and deriving well-converged equations to treat the interactions within and between molecules. Concentrating on both the practical and theoretical aspects of electronic nonadiabatic transitions in molecules, Professor Baer uses a simple mathematical language to rigorously eliminate the singular NACTs and enable reliable calculations of spectroscopic and dynamical cross sections. He presents models of varying complexity to illustrate the validity of the theory and explores the significance of the study of NACTs and the relationship between molecular physics and other fields in physics, particularly electrodynamics. The first book of its king Beyond Born-Oppenheimer: * Presents a detailed mathematical framework to treat electronic NACTs and their conical intersections * Describes the Born-Oppenheimer treatment, including the concepts of adiabatic and diabatic frameworks * Introduces a field-theoretical approach to calculating NACTs, which offers an alternative to time-consuming ab initio procedures * Discusses various approximations for treating a large system of diabatic Schrödinger equations * Presents numerous exercises with solutions to further clarify the material being discussed Beyond Born-Oppenheimer is required reading for physicists, physical chemists, and all researchers involved in the quantum mechanical study of molecular systems.
Fundamentals of Electrochemistry
Fundamentals of Electrochemistry provides the basic outline of most topics of theoretical and applied electrochemistry for students not yet familiar with this field, as well as an outline of recent and advanced developments in electrochemistry for people who are already dealing with electrochemical problems. The content of this edition is arranged so that all basic information is contained in the first part of the book, which is now rewritten and simplified in order to make it more accessible and used as a textbook for undergraduate students. More advanced topics, of interest for postgraduate levels, come in the subsequent parts. This updated second edition focuses on experimental techniques, including a comprehensive chapter on physical methods for the investigation of electrode surfaces. New chapters deal with recent trends in electrochemistry, including nano- and micro-electrochemistry, solid-state electrochemistry, and electrocatalysis. In addition, the authors take into account the worldwide renewal of interest for the problem of fuel cells and include chapters on batteries, fuel cells, and double layer capacitors.
Topics in Stereochemistry
Topics in Stereochemistry covers the fundamental principles of physical chemistry and molecular physics while dealing with certain stereochemical aspects of organic chemistry and biochemistry.
Catalytic Asymmetric Synthesis
From the reviews of the First Edition . . . «An excellent text . . . will no doubt provide the benchmark for comparative works for many years.» —Journal of the American Chemical Society «A resounding success . . . the definitive current summaries on their respective subjects.» —Synthesis Since this important work was first published in 1993, the field of catalytic asymmetric synthesis has grown explosively, spawning effective new methods for obtaining enantiomerically pure compounds on a large scale and stimulating new applications in diverse fields-from medicine to materials science. Catalytic Asymmetric Synthesis, Second Edition addresses these rapid changes through new or substantially revised contributions from highly recognized world leaders in the field. It presents detailed accounts of the most important catalytic asymmetric reactions known today, discusses recent advances, and retains from the previous edition essential and intriguing information on the initial development of certain processes. An excellent working resource for academic researchers and industrial chemists alike, the Second Edition features: Contributions from Noyori, Sharpless, Kagan, Trost, Overman, Shibasaki, Doyle, Okamoto, Bolm, Carreira, and many other internationally renowned authorities New chapters on asymmetric carbometallations, asymmetric amplification and autocatalysis, and asymmetric polymerization Extended coverage of asymmetric carbene reactions, including asymmetric intramolecular carbene insertion to C-H bonds as well as asymmetric dihydroxylation and aminohydroxylation Extended coverage of asymmetric carbon-carbon bond-forming reactions and applications An appendix listing all chiral ligands in the book
Interfacial Supramolecular Assemblies
Describes the supramolecular properties of molecular assemblies that contain a solid phase, offering an integrated approach to measurement and addressibility. * Offers an integrated approach to measurement and addressibility. * Features case studies describing the major devices developed using this technology. * The prospects for the future of interfacial supramolecular assemblies are considered.
Organic Crystal Engineering
Organic Crystal Engineering provides reviews of topics in organic crystal engineering that will be of interest to all researchers in molecular solid-state chemistry. Specialist reviews written by internationally recognized researchers, drawn from both academia and industry, cover topics including crystal structure prediction features, polymorphism, reactions in the solid-state, designing new arrays and delineating prominent intermolecular forces for important organic molecules.
Fuel Cell Catalysis
Wiley Series on Electrocatalysis and Electrochemistry Fuel Cell Catalysis A Surface Science Approach A Core reference on fuel cell catalysis Fuel cells represent an important alternative energy source and a very active area of research. Fuel Cell Catalysis brings together world leaders in this field, providing a unique combination of state-of-the-art theory and computational and experimental methods. With an emphasis on understanding fuel cell catalysis at the molecular level, this text covers fundamental principles, future challenges, and important current research themes. Fuel Cell Catalysis: Provides a molecular-level description of catalysis for low-temperature polymer-electrolyte membrane fuel cells, including both hydrogen-oxygen cells and direct alcohol cells Examines catalysis issues of both anode and cathode such as oxygen reduction, alcohol oxidation, and CO tolerance Features a timely and forward-looking approach through emphasis on novel aspects such as computation and bio-inspiration Reviews the use and potential of surface-sensitive techniques like vibrational spectroscopy (IR, Raman, nonlinear spectroscopy, laser), scanning tunneling microscopy, X-ray scattering, NMR, electrochemical techniques, and more Reviews the use and potential of such modern computational techniques as DFT, ab initio MD, kinetic Monte Carlo simulations, and more Surveys important trends in reactivity and structure sensitivity, nanoparticles, «dynamic» catalysis, electrocatalysis vs. gas-phase catalysis, new experimental techniques, and nontraditional catalysts This cutting-edge collection offers a core reference for electrochemists, electrocatalysis researchers, surface and physical chemists, chemical and automotive engineers, and researchers in academia, research institutes, and industry.
Topics in Stereochemistry
Since it was first published in 1967, the highly regarded Topics in Stereochemistry series has consistently reflected the state of the art in the field and provided readers with a coherent framework for the conceptual, theoretical, and practical aspects of modern stereochemistry. With the new series editor, Scott E. Denmark, at the helm, Volume 22 continues to offer important insights into the evolution of stereochemistry and its future direction. Written by internationally recognized leaders in their respective fields, this volume introduces readers to some of the most intensely studied topics in research laboratories today. Along with the fundamental principles of chirality, the authors describe exciting new applications of stereochemistry in synthetic organic, physical organic, and bioorganic chemistry. They cover cutting-edge research in areas such as asymmetric catalysis, reactions with catalytic antibodies, and stereoelectronic control of organic reactions. In addition, a feature chapter provides a critical analysis of the concepts of molecular chirality. Timely and authoritative, Topics in Stereochemistry, Volume 22, features over 120 illustrations and a cumulative index covering Volumes 1 through 22. It is an essential resource for organic chemists involved in synthesis as well as those in the physical and bioorganic areas of organic chemistry. Volume 22 relaunches this highly respected series, providing a timely, valuable reference to the theory and practice of stereochemistry. Cutting-edge topics include: * Foundations of molecular and topological chirality. * Stereoselective reactions with catalytic antibodies. * Stereoelectronic effects of the group 4 metal substituents in organic chemistry. * Asymmetric catalysis with the new class of chiral lanthanoid complexes. * Basic principles of the exciting new area of asymmetric amplification.