The Physical Chemist's Toolbox


Book Description

The working tools of the physical sciences, expertly organized into one volume Covering the basic concepts and working tools in the physical sciences, this reference is a unique, indispensable guide for students and researchers in chemistry, physics, and related disciplines. Everyone from novices to experienced researchers can turn to this book to find the essential equations, theories, and working tools needed to conduct and interpret contemporary research. Expertly organized, the book. Summarizes the core theories common to chemistry and physics Introduces topics and techniques that lay the foundations of instrumentation Discusses basic as well as advanced instrumentation and experimental methods Guides readers from crystals to nanoparticles to single molecules Readers gain access to not only the core concepts of the physical sciences, but also the underlying mathematics. Among the topics addressed are mechanics, special relativity, electricity and magnetism, quantum chemistry, thermodynamics, electrochemistry, symmetry, solid state physics, and electronics. The book also addresses energy and electrical sources, detectors, and algorithms. Moreover, it presents state-of-the-technology instrumentation and techniques needed to conduct successful experiments. Each chapter includes problems and exercises ranging from easy to difficult to help readers master core concepts and put them into practice. References lead to more specialized texts so that readers can explore individual topics in greater depth. The Physical Chemist's Toolbox is recommended not only as a general reference, but also as a textbook for two-semester graduate courses in physical and analytical chemistry.




Data Analysis and Chemometrics for Metabolomics


Book Description

Understand new modes of analysing metabolomic data Metabolomics is the study of metabolites, small molecules and chemical substrates within cells or larger structures which collectively make up the metabolome. The field of metabolomics stands to benefit enormously from chemometrics, an approach which brings advanced statistical techniques to bear on data of this kind. Data Analysis and Chemometrics for Metabolomics constitutes an accessible introduction to chemometric techniques and their applications in the field of metabolomics. Thoroughly and accessibly written by a leading expert in chemometrics, and printed in full-colour, it brings robust data analysis into conversation with the metabolomic field to the immense benefit of practitioners. Data Analysis and Chemometrics for Metabolomics readers will also find: Statistical insights into the nature of metabolomic hypothesis testing, validation, and more All metabolomics data sets from the book on a companion website Case studies from human, animal, plant and bacterial biology Data Analysis and Chemometrics for Metabolomics is ideal for practitioners in the life sciences, clinical sciences and chemistry, as well as metabolomics researchers or developers of research instruments looking to apply cutting-edge analytical techniques, and statisticians developing methods to design experiments and analyse large datasets of clinical and biological origin.




Chemometrics and Cheminformatics in Aquatic Toxicology


Book Description

CHEMOMETRICS AND CHEMINFORMATICS IN AQUATIC TOXICOLOGY Explore chemometric and cheminformatic techniques and tools in aquatic toxicology Chemometrics and Cheminformatics in Aquatic Toxicology delivers an exploration of the existing and emerging problems of contamination of the aquatic environment through various metal and organic pollutants, including industrial chemicals, pharmaceuticals, cosmetics, biocides, nanomaterials, pesticides, surfactants, dyes, and more. The book discusses different chemometric and cheminformatic tools for non-experts and their application to the analysis and modeling of toxicity data of chemicals to various aquatic organisms. You’ll learn about a variety of aquatic toxicity databases and chemometric software tools and webservers as well as practical examples of model development, including illustrations. You’ll also find case studies and literature reports to round out your understanding of the subject. Finally, you’ll learn about tools and protocols including machine learning, data mining, and QSAR and ligand-based chemical design methods. Readers will also benefit from the inclusion of: A thorough introduction to chemometric and cheminformatic tools and techniques, including machine learning and data mining An exploration of aquatic toxicity databases, chemometric software tools, and webservers Practical examples and case studies to highlight and illustrate the concepts contained within the book A concise treatment of chemometric and cheminformatic tools and their application to the analysis and modeling of toxicity data Perfect for researchers and students in chemistry and the environmental and pharmaceutical sciences, Chemometrics and Cheminformatics in Aquatic Toxicology will also earn a place in the libraries of professionals in the chemical industry and regulators whose work involves chemometrics.




The Physical Chemist's Toolbox


Book Description

Assembling a great deal of material in one place, this book serves as a valuable guide for chemists and related physical scientists throughout their careers -- covering essential equations, theories, and tools needed for conducting and interpreting contemporary research. Offers a comprehensive and in-depth treatment of the most challenging concepts of chemistry Updates and revises existing chapters from the prior edition and adds: new chapters on inorganic, organic, and biochemistry; appendices about nuclides and organic reactions; and expanded questions at the end of chapters Has a complementary website with a solutions manual and PowerPoint presentations for instructors




Machine Learning in Chemistry


Book Description

Progress in the application of machine learning (ML) to the physical and life sciences has been rapid. A decade ago, the method was mainly of interest to those in computer science departments, but more recently ML tools have been developed that show significant potential across wide areas of science. There is a growing consensus that ML software, and related areas of artificial intelligence, may, in due course, become as fundamental to scientific research as computers themselves. Yet a perception remains that ML is obscure or esoteric, that only computer scientists can really understand it, and that few meaningful applications in scientific research exist. This book challenges that view. With contributions from leading research groups, it presents in-depth examples to illustrate how ML can be applied to real chemical problems. Through these examples, the reader can both gain a feel for what ML can and cannot (so far) achieve, and also identify characteristics that might make a problem in physical science amenable to a ML approach. This text is a valuable resource for scientists who are intrigued by the power of machine learning and want to learn more about how it can be applied in their own field.




Elements of Physical Chemistry


Book Description

Elements of Physical Chemistry has been carefully crafted to help students increase their confidence when using physics and mathematics to answer fundamental questions about the structure of molecules, how chemical reactions take place, and why materials behave the way they do.




A Cultural History of Chemistry in the Nineteenth Century


Book Description

A Cultural History of Chemistry in the Nineteenth Century covers the period from 1815 to 1914 and the birth of modern chemistry. The elaboration of atomic theory - and new ideas of periodicity, structure, bonding, and equilibrium - emerged in tandem with new instruments and practices. The chemical industry expanded exponentially, fuelled by an increasing demand for steel, aluminium, dyestuffs, pharmaceuticals, and consumer goods. And the chemical laboratory became established in its two distinct modern settings of the university and industry. At the turn of the century, the discovery of radioactivity took hold of the public imagination, drawing chemistry closer to physics, even as it threatened to undermine the whole concept of atomism. The 6 volume set of the Cultural History of Chemistry presents the first comprehensive history from the Bronze Age to today, covering all forms and aspects of chemistry and its ever-changing social context. The themes covered in each volume are theory and concepts; practice and experiment; laboratories and technology; culture and science; society and environment; trade and industry; learning and institutions; art and representation. Peter J. Ramberg is Professor of the History of Science at Truman State University, USA. Volume 5 in the Cultural History of Chemistry set. General Editors: Peter J. T. Morris, University College London, UK, and Alan Rocke, Case Western Reserve University, USA.




Elements of Physical Chemistry


Book Description

This revision of the introductory textbook of physical chemistry has been designed to broaden its appeal, particularly to students with an interest in biological applications.




Atkins' Physical Chemistry 11e


Book Description

Atkins' Physical Chemistry: Molecular Thermodynamics and Kinetics is designed for use on the second semester of a quantum-first physical chemistry course. Based on the hugely popular Atkins' Physical Chemistry, this volume approaches molecular thermodynamics with the assumption that students will have studied quantum mechanics in their first semester. The exceptional quality of previous editions has been built upon to make this new edition of Atkins' Physical Chemistry even more closely suited to the needs of both lecturers and students. Re-organised into discrete 'topics', the text is more flexible to teach from and more readable for students. Now in its eleventh edition, the text has been enhanced with additional learning features and maths support to demonstrate the absolute centrality of mathematics to physical chemistry. Increasing the digestibility of the text in this new approach, the reader is brought to a question, then the math is used to show how it can be answered and progress made. The expanded and redistributed maths support also includes new 'Chemist's toolkits' which provide students with succinct reminders of mathematical concepts and techniques right where they need them. Checklists of key concepts at the end of each topic add to the extensive learning support provided throughout the book, to reinforce the main take-home messages in each section. The coupling of the broad coverage of the subject with a structure and use of pedagogy that is even more innovative will ensure Atkins' Physical Chemistry remains the textbook of choice for studying physical chemistry.




Chemical Reactivity Theory


Book Description

In the 1970s, Density Functional Theory (DFT) was borrowed from physics and adapted to chemistry by a handful of visionaries. Now chemical DFT is a diverse and rapidly growing field, its progress fueled by numerous developing practical descriptors that make DFT as useful as it is vast. With 34 chapters written by 65 eminent scientists from 13 diffe