Mathematical Concepts in Organic Chemistry


Book Description

The present book is an attempt to outline some, certainly not all, mathematical aspects of modern organic chemistry. We have focused our attention on topological, graph-theoretical and group-theoretical features of organic chemistry, Parts A, B and C. The book is directed to all those chemists who use, or who intend to use mathe matics in their work, and especially to graduate students. The level of our exposition is adjusted to the mathematical background of graduate students of chemistry and only some knowledge of elementary algebra and calculus is required from the readers of the book. Some less well-known. but still elementary mathematical facts are collected in Appendices 1-4. This, however, does not mean that the mathematical rigor and numerous tedious, but necessary technical details have been avoided. The authors' intention was to show the reader not only how the results of mathematical chemistry look, but also how they can be obtained. In accordance with this, Part 0 of the book contains a few selected advanced topics which should give the reader the flavour of the contemporary research in mathe matical organic chemistry. One of the authors (I.G.) was an Alexander von Humboldt fellow in 1985 when the main part of the book was written. He gratefully acknowledges the financial support of the Alexander von Humboldt Foundation which enabled his stay at the Max-Planck-Institut fUr Strahlenchemie in M iilheim and the writing of this book.




Organic Chemistry I For Dummies


Book Description

Organic Chemistry I For Dummies, 2nd Edition (9781119293378) was previously published as Organic Chemistry I For Dummies, 2nd Edition (9781118828076). While this version features a new Dummies cover and design, the content is the same as the prior release and should not be considered a new or updated product. The easy way to take the confusion out of organic chemistry Organic chemistry has a long-standing reputation as a difficult course. Organic Chemistry I For Dummies takes a simple approach to the topic, allowing you to grasp concepts at your own pace. This fun, easy-to-understand guide explains the basic principles of organic chemistry in simple terms, providing insight into the language of organic chemists, the major classes of compounds, and top trouble spots. You'll also get the nuts and bolts of tackling organic chemistry problems, from knowing where to start to spotting sneaky tricks that professors like to incorporate. Refreshed example equations New explanations and practical examples that reflect today's teaching methods Fully worked-out organic chemistry problems Baffled by benzines? Confused by carboxylic acids? Here's the help you need—in plain English!




Organic Chemistry


Book Description

Provides an in-depth study of organic compounds that bridges the gap between general and organic chemistry Organic Chemistry: Concepts and Applications presents a comprehensive review of organic compounds that is appropriate for a two-semester sophomore organic chemistry course. The text covers the fundamental concepts needed to understand organic chemistry and clearly shows how to apply the concepts of organic chemistry to problem-solving. In addition, the book highlights the relevance of organic chemistry to the environment, industry, and biological and medical sciences. The author includes multiple-choice questions similar to aptitude exams for professional schools, including the Medical College Admissions Test (MCAT) and Dental Aptitude Test (DAT) to help in the preparation for these important exams. Rather than categorize content information by functional groups, which often stresses memorization, this textbook instead divides the information into reaction types. This approach bridges the gap between general and organic chemistry and helps students develop a better understanding of the material. A manual of possible solutions for chapter problems for instructors and students is available in the supplementary websites. This important book: • Provides an in-depth study of organic compounds with division by reaction types that bridges the gap between general and organic chemistry • Covers the concepts needed to understand organic chemistry and teaches how to apply them for problem-solving • Puts a focus on the relevance of organic chemistry to the environment, industry, and biological and medical sciences • Includes multiple choice questions similar to aptitude exams for professional schools Written for students of organic chemistry, Organic Chemistry: Concepts and Applications is the comprehensive text that presents the material in clear terms and shows how to apply the concepts to problem solving.




Mathematical Stereochemistry


Book Description

Chirality and stereogenicity are closely related concepts and their differentiation and description is still a challenge in chemoinformatics. In his 2015 book, Fujita developed a new stereoisogram approach that provided theoretical framework for mathematical aspects of modern stereochemistry. This new edition includes a new chapter on Computer-Oriented Representations developed by the author based on Groups, Algorithms, Programming (GAP) system.




Introduction to Contextual Maths in Chemistry


Book Description

CHEMISTRY STUDENT GUIDES. GUIDED BY STUDENTS For any student who has ever struggled with a mathematical understanding of chemistry, this book is for you. Mathematics is the essential tool for physical scientists. We know that confidence in using mathematics early on in a chemistry degree builds a solid foundation for further study. However, applying the abstract mathematics taught in schools to chemical phenomena is one of the biggest challenges that chemistry students face. In this book, we take a ‘chemistry-first’ approach. We link the mathematics to recognisable chemical concepts, building on high school chemistry, to facilitate deeper understanding. We cover the practical mathematical skills, including representation of data as tables and graphs, and give an overview of error handling in the physical sciences. More advanced mathematical concepts are introduced, using calculus to determine kinetic rate laws, intermolecular forces and in quantifying energetic change in thermodynamics. We also introduce the concept of the complex number and its role in considering quantum wave functions, widely used in computational chemistry. There are worked examples and problem sets to provide plenty of practise material to build proficiency. We also include insights from real students, which identify common problem areas and provide the prompts that helped them to overcome these. Chemistry Student Guides are written with current students involved at every stage, guiding the books towards the most challenging aspects of the topic.







Advances in Quantum Chemistry


Book Description

Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field that falls between the historically established areas of mathematics, physics, chemistry, and biology. With invited reviews written by leading international researchers, each presenting new results, it provides a single vehicle for following progress in this interdisciplinary area. Advances in Quantum Chemistry, Volume 51 deals with various aspects of mathematical versus chemical applications. Some parts belong to established scientific domains, where technical progress has been crucial for the development of modern quantum chemistry as well as the quantification problem in spectral resonance analysis. The first chapter in the volume, concerns the calculation of molecular electronic structure to high accuracy, using a variety of one and two-body schemes in the coupled cluster family of methods. Chapter 2 is devoted to Angular Momentum Diagrams. In chapters 3 and 4, the autors portray Chemical Graph Theory (CGT). Advances quantum mechanical signal processing through the fast Padé transform (FPT) are covered in Chapter 5. The concluding chapter gives a mathematical view of molecular equilibria using a Density-Functional Theory (DFT) description. - Publishes articles, invited reviews and proceedings of major international conferences and workshops - Compiled by the leading international researchers in quantum and theoretical chemistry - Highlights the important, interdisciplinary developments




Mathematics for Physical Chemistry


Book Description

Mathematics for Physical Chemistry, Third Edition, is the ideal text for students and physical chemists who want to sharpen their mathematics skills. It can help prepare the reader for an undergraduate course, serve as a supplementary text for use during a course, or serve as a reference for graduate students and practicing chemists. The text concentrates on applications instead of theory, and, although the emphasis is on physical chemistry, it can also be useful in general chemistry courses. The Third Edition includes new exercises in each chapter that provide practice in a technique immediately after discussion or example and encourage self-study. The first ten chapters are constructed around a sequence of mathematical topics, with a gradual progression into more advanced material. The final chapter discusses mathematical topics needed in the analysis of experimental data. - Numerous examples and problems interspersed throughout the presentations - Each extensive chapter contains a preview, objectives, and summary - Includes topics not found in similar books, such as a review of general algebra and an introduction to group theory - Provides chemistry specific instruction without the distraction of abstract concepts or theoretical issues in pure mathematics




It's Just Math


Book Description

At the interface between chemistry and mathematics, this book brings together research on the use mathematics in the context of undergraduate chemistry courses. These university-level studies also support national efforts expressed in the Next Generation Science Standards regarding the importance of skills, such as quantitative reasoning and interpreting data. Curated by award-winning leaders in the field, this book is useful for instructors in chemistry, mathematics, and physics at the secondary and university levels.




Classics in Total Synthesis III


Book Description

K.C. Nicolaou - Winner of the Nemitsas Prize 2014 in Chemistry Adopting his didactically skillful approach, K.C. Nicolaou compiles in this textbook the important synthetic methods that lead to a complex molecule with valuable properties. He explains all the key steps of the synthetic pathway, highlighting the major developments in blue-boxed sections and contrasting these to other synthetic methods. A wonderful tool for learning and teaching and a must-have for all future and present organic and biochemists.