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Here, the authors introduce readers to solving molecular structure elucidation problems using the expert system ACD/Structure Elucidator. They explain in detail the concepts of the Computer-Assisted Structure Elucidation (CASE) approach and point out the crucial role of understanding the axiomatic nature of the data used to deduce the structure.

This book describes the photocatalytic mechanism, factors affecting photocatalytic activity, design and preparation of different kinds of nanostructured photocatalysts, and their applications in the environmental and energy fields.

This concise book covers fundamental principles of colloidal self-assembly and overviews of basic and applied research in this field, with abundant illustrations and photographs. Experimental and computer simulation methods to study the colloidal self-assembly are demonstrated. Complementary videos "Visual Guide to Study Colloidal Self-Assembly" on the research procedures and assembly processes are available via SpringerLink to support learning.The book explains basic elements of mechanics and electromagnetism required to study the colloidal self-assembly, so that graduate students of chemistry and engineering courses can learn the contents on their own. It reviews important research topics, including the authors' works on the colloidal self-assembly of more than 30 years¿ work. The principal topics include: (1) crystallization of colloidal dispersions, with the emphasis on the role of surface charges, (2) fabrication of large and high-quality colloidal crystals by applyingcontrolled growth methods, (3) association and crystallization by depletion attraction in the presence of polymers, (4) clustering of colloidal particles, especially those in oppositely charged systems, and (5) two-dimensional colloidal crystals. Furthermore, it covers (6) applications of colloidal crystals, ranging from cosmetics to sensing materials. We also describe space experiments on colloidal self-assembly in the International Space Station.This book will interest graduate school students in colloid and polymer science, pharmaceutics, soft matter physics, material sciences, and chemical engineering courses. It will also be a useful guide for individuals in academia and industry undertaking research in this field.

This book introduces the fundamentals, instruments, methodology, and applications of surface plasmon resonance imaging (SPRi) and related techniques. It provides an overview of SPRi development and an easy-to-understand interpretation of theory and operation principles. Some unique ideas proposed by the authors to design and set up SPRi devices and methods are disclosed for the first time. Crucial manipulation experiences are also summarized here, including chip surface functionalization, sensitivity enhancement and coupling of SPRi with other analytical techniques. The application of SPRi for molecular interaction study, featuring high throughput, label-freeness, and physiologically compatible analysis, is discussed in detail. This book is of interest and useful to a wide readership in bioanalytical chemistry, molecular biology, and many related interdisciplinary fields.

This book begins by providing a simplified version of the computational quantum chemistry sufficient to calculate the wavefunctions that are the basic input of NG-QTAIM. Enough basic (scalar) QTAIM theory is provided to understand the later chapters. In addition, our developments of scalar QTAIM are presented and activities at various levels of difficulty are provided for the readership to facilitate understanding. The topological origins of Quantum Theory of Atoms in Molecules (QTAIM) before explaining the highlights and consequences of the developments of Next-Generation QTAIM (NG-QTAIM) that is a 3-D vector-based realization of QTAIM. The book compiles all developments and extensions of Next-Generation QTAIM in one place for easy reference for those engaged in theoretical/computational chemistry. Essential insights into molecular switch functioning not available from the energy barrier or any scalar measures are presented along with a new measure toassess the efficiency of rotary molecular motors. The book also discusses how the treatment of external forces such as electric fields and laser irradiation is included in NG-QTAIM. This book benefits theoretical/computational chemists/physics/engineers, students (graduate and undergraduate) and chemical/pharmaceutical industry researchers who carry out chemical computations in universities and industries.Where appropriate, Target Learning Outcomes and Further Reading are provided along with a list of the scientific goals to be addressed in addition to a glossary table in the summary sections. Where applicable each chapter concludes by outlining benefits, limitations and suggestions for further investigations.All our NG-QTAIM publications are available as pre-prints in the form of .pdf files along with the corresponding supplementary materials at our BEACON website www.beaconresearch.org.

Ion-selective electrodes (ISEs) have a wide range of applications in clinical, environmental, food and pharmaceutical analysis as well as further uses in chemistry and life sciences.

In this concise book, the author presents the essentials every chemist needs to know about how to obtain reliable measurement results. Starting with the basics of metrology and the metrological infrastructure, all relevant topics - such as traceability, calibration, chemical reference materials, validation and uncertainty - are covered.

Solid-State NMR Characterization of Heterogeneous Catalysts and Catalytic Reactions provides a comprehensive account of state-of-the-art solid-state NMR techniques and the application of these techniques in heterogeneous catalysts and related catalytic reactions.

In this concise book, the author presents the essentials every chemist needs to know about how to obtain reliable measurement results. Starting with the basics of metrology and the metrological infrastructure, all relevant topics - such as traceability, calibration, chemical reference materials, validation and uncertainty - are covered.

This book covers various molecular, metal-organic, dynamic covalent, polymer and other gels, focusing on their driving interactions, structures and properties.

This book offers the fundamentals of polymer design and synthesis. Discusses properties and characterization of polymers, and describes principles of polymerization reactions including step, radical chain, ionic chain, chain copolymerization and more.

This book provides a concise introduction to pericyclic and photochemical reactions for organic synthesis. In the first part about pericyclic reactions, the author explains electrocyclic reactions, cycloaddition reactions, sigmatropic rearrangements, and group transfer reactions.

This second edition was updated to include some of the recent developments, such as "increased-valence" structures for 3-electron-3-centre bonding, benzene, electron conduction and reaction mechanisms, spiral chain O4 polymers and recoupled-pair bonding.

This lecture notes book presents how enhanced structural information of biomolecular ions can be obtained from interaction with photons of specific frequency - laser light.

This book is an ideal accompaniment for researchers taking courses in olefin polymerization and also serves as a valuable resource for teachers and lecturers of chemistry when planning and researching material for advanced lecture courses.

Covering all the essentials from biochemical recognition to the latest MEMS systems, this book on biosensors and their applications includes a wealth of case studies. Written by a leading expert on the subject, it includes a chapter on likely future advances.

Connectivity is important topological property of a molecule which allows a conceptual qualitative understanding, via a non numerical analysis, of many chemical phenomena or at least that part of phenomenon which depends on topology.

Besides these basic applications of computers in chemical measurements scientists developed computer programs for solving more sophisticated problems for which some kind of "intelligence" is usually supposed to be necessary. Heuristic methods try to formu late computer programs working in a similar way as a chemist would solve the problem.

It is the purpose of this treatment to describe the interconnection between the electric current in a composite thermodynamic system and the rate of production of a certain substance on the one side, the rate of deple tion of another substance on the other side, and the work per unit time which has to be delivered to or is supplied by the system.

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This book describes fundamental theory and recent advances of sum frequency generation (SFG) spectroscopy.