Download or read book A Chemist s Guide to Density Functional Theory written by Wolfram Koch and published by John Wiley & Sons. This book was released on 2015-11-18 with total page 378 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Chemists familiar with conventional quantum mechanics will applaud and benefit greatly from this particularly instructive, thorough and clearly written exposition of density functional theory: its basis, concepts, terms, implementation, and performance in diverse applications. Users of DFT for structure, energy, and molecular property computations, as well as reaction mechanism studies, are guided to the optimum choices of the most effective methods. Well done!" Paul von Rague Schleyer "A conspicuous hole in the computational chemist's library is nicely filled by this book, which provides a wide-ranging and pragmatic view of the subject.[...It] should justifiably become the favorite text on the subject for practioneers who aim to use DFT to solve chemical problems." J. F. Stanton, J. Am. Chem. Soc. "The authors' aim is to guide the chemist through basic theoretical and related technical aspects of DFT at an easy-to-understand theoretical level. They succeed admirably." P. C. H. Mitchell, Appl. Organomet. Chem. "The authors have done an excellent service to the chemical community. [...] A Chemist's Guide to Density Functional Theory is exactly what the title suggests. It should be an invaluable source of insight and knowledge for many chemists using DFT approaches to solve chemical problems." M. Kaupp, Angew. Chem.
Download or read book The Medicinal Chemist s Guide to Solving ADMET Challenges written by Patrick Schnider and published by Royal Society of Chemistry. This book was released on 2021-08-27 with total page 541 pages. Available in PDF, EPUB and Kindle. Book excerpt: Medicinal chemistry is a complex science that lies at the very heart of drug discovery. Poor solubility, complex metabolism, tissue retention and slow elimination are just some of the properties of investigational compounds that present a challenge to the design and conduct of ADMET studies. Medicinal chemistry experience and knowledge relating to how a lead structure was modified to solve a specific problem is generally very challenging to retrieve. Presented in a visual and accessible style, this book provides rapid solutions to overcome the universal challenges to optimizing ADMET.
Download or read book A Chemist s Guide to Valence Bond Theory written by Sason S. Shaik and published by John Wiley & Sons. This book was released on 2007-12-10 with total page 332 pages. Available in PDF, EPUB and Kindle. Book excerpt: This reference on current VB theory and applications presents a practical system that can be applied to a variety of chemical problems in a uniform manner. After explaining basic VB theory, it discusses VB applications to bonding problems, aromaticity and antiaromaticity, the dioxygen molecule, polyradicals, excited states, organic reactions, inorganic/organometallic reactions, photochemical reactions, and catalytic reactions. With a guide for performing VB calculations, exercises and answers, and numerous solved problems, this is the premier reference for practitioners and upper-level students.
Download or read book Guide to Fluorine NMR for Organic Chemists written by William R. Dolbier, Jr. and published by John Wiley & Sons. This book was released on 2016-08-24 with total page 418 pages. Available in PDF, EPUB and Kindle. Book excerpt: Following its well-received predecessor, this book offers an essential guide to chemists for understanding fluorine in spectroscopy. With over 1000 compounds and 100 spectra, the second edition adds new data – featuring fluorine effects on nitrogen NMR, chemical shifts, and coupling constants. • Explains how to successfully incorporate fluorine into target molecules and utilize fluorine substituents to structurally characterize organic compounds • Includes new data on nitrogen NMR, focusing on N-15, to portray the influence of fluorine upon nitrogen NMR chemical shifts and coupling constants • Expands on each chapter from the first edition with additional data and updated discussion from recent findings • "The flawless ordering of material covered in this stand-alone volume is such that information can be found very easily." – Angewandte Chemie review of the first edition, 2010
Download or read book Chemists Guide to Effective Teaching written by Norbert J. Pienta and published by Prentice Hall. This book was released on 2005 with total page 232 pages. Available in PDF, EPUB and Kindle. Book excerpt: Part of the Prentice Hall Series in Educational Innovation for Chemistry, this unique book is a collection of information, examples, and references on learning theory, teaching methods, and pedagogical issues related to teaching chemistry to college students. In the last several years there has been considerable activity and research in chemical education, and the materials in this book integrate the latest developments in chemistry. Each chapter is written by a chemist who has some expertise in the specific technique discussed, has done some research on the technique, and has applied the technique in a chemistry course.
Download or read book Write Like a Chemist written by Marin Robinson and published by Oxford University Press. This book was released on 2008-08-18 with total page 719 pages. Available in PDF, EPUB and Kindle. Book excerpt: Concise writing and organizational skills are stressed throughout, and "move structures" teach students conventional ways to present their stories of scientific discovery.
Download or read book A Guide to Organophosphorus Chemistry written by Louis D. Quin and published by John Wiley & Sons. This book was released on 2000-02-04 with total page 416 pages. Available in PDF, EPUB and Kindle. Book excerpt: Die organische Chemie des Phosphors - ein großes, äußerst lebendiges Forschungsfeld - umfaßt sowohl Verbindungen mit Kohlenstoff-Phosphor-Bindungen als auch organische Ester anorganischer Phosphorsäuren. Dieser Band behandelt die meisten phosphorhaltigen funktionellen Gruppen und daneben aktuelle Fragen wie z.B. ungewöhnliche Koordinationszustände, Heterocyclen, Anwendungen der 31P-NMR und andere spektroskopische Verfahren. Soweit bekannt, werden auch elektronische Reaktionsmechanismen und reaktive Intermediate diskutiert. Mit zahlreichen Literaturhinweisen! (03/00)
Download or read book The Medicinal Chemist s Guide to Solving ADMET Challenges written by Patrick Schnider and published by Royal Society of Chemistry. This book was released on 2021-08-20 with total page 541 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Medicinal Chemist’s Guide to Solving ADMET Challenges summarizes a series of design strategies and tactics that have been successfully employed across pharmaceutical and academic laboratories to solve common ADMET issues. These are exemplified with a curated collection of concrete examples displayed in a highly visual “table-of-contents” style format, allowing readers to rapidly identify the most promising approaches applicable to their own challenges. Each ADMET parameter is introduced in a concise yet comprehensive manner and includes background, relevance and screening strategies. Medicinal chemistry knowledge of how best to modify molecular structure to solve ADMET issues is challenging to retrieve from the literature, public databases and even corporate data warehouses. The Medicinal Chemist’s Guide to Solving ADMET Challenges addresses this gap by presenting state-of-the-art design strategies put together by a global group of experienced medicinal chemists and ADMET experts across academia and the pharmaceutical industry.
Download or read book Computational Drug Design written by D. C. Young and published by John Wiley & Sons. This book was released on 2009-01-28 with total page 344 pages. Available in PDF, EPUB and Kindle. Book excerpt: Helps you choose the right computational tools and techniques to meet your drug design goals Computational Drug Design covers all of the major computational drug design techniques in use today, focusing on the process that pharmaceutical chemists employ to design a new drug molecule. The discussions of which computational tools to use and when and how to use them are all based on typical pharmaceutical industry drug design processes. Following an introduction, the book is divided into three parts: Part One, The Drug Design Process, sets forth a variety of design processes suitable for a number of different drug development scenarios and drug targets. The author demonstrates how computational techniques are typically used during the design process, helping readers choose the best computational tools to meet their goals. Part Two, Computational Tools and Techniques, offers a series of chapters, each one dedicated to a single computational technique. Readers discover the strengths and weaknesses of each technique. Moreover, the book tabulates comparative accuracy studies, giving readers an unbiased comparison of all the available techniques. Part Three, Related Topics, addresses new, emerging, and complementary technologies, including bioinformatics, simulations at the cellular and organ level, synthesis route prediction, proteomics, and prodrug approaches. The book's accompanying CD-ROM, a special feature, offers graphics of the molecular structures and dynamic reactions discussed in the book as well as demos from computational drug design software companies. Computational Drug Design is ideal for both students and professionals in drug design, helping them choose and take full advantage of the best computational tools available. Note: CD-ROM/DVD and other supplementary materials are not included as part of eBook file.
Download or read book ADMET for Medicinal Chemists written by Katya Tsaioun and published by John Wiley & Sons. This book was released on 2011-02-15 with total page 454 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book guides medicinal chemists in how to implement early ADMET testing in their workflow in order to improve both the speed and efficiency of their efforts. Although many pharmaceutical companies have dedicated groups directly interfacing with drug discovery, the scientific principles and strategies are practiced in a variety of different ways. This book answers the need to regularize the drug discovery interface; it defines and reviews the field of ADME for medicinal chemists. In addition, the scientific principles and the tools utilized by ADME scientists in a discovery setting, as applied to medicinal chemistry and structure modification to improve drug-like properties of drug candidates, are examined.
Download or read book Sudden Selector s Guide to Chemistry Resources written by Elizabeth Anne Brown and published by Assoc for Libr Collections & Tech Svc. This book was released on 2012 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Chemistry and the Chemical Industry written by Robert A. Smiley and published by CRC Press. This book was released on 2016-04-19 with total page 177 pages. Available in PDF, EPUB and Kindle. Book excerpt: As chemical companies strive to be more competitive in the world economy, it is essential that their employees, including sales and marketing personnel, as well as administrative support groups understand the basic concepts of the science upon which the industry is based. The authors, who have over 100 years of combined experience in the chemical i
Download or read book Chemistry written by Richard Post and published by John Wiley & Sons. This book was released on 2020-09-16 with total page 439 pages. Available in PDF, EPUB and Kindle. Book excerpt: A practical, complete, and easy-to-use guide for understanding major chemistry concepts and terms Master the fundamentals of chemistry with this fast and easy guide. Chemistry is a fundamental science that touches all other sciences, including biology, physics, electronics, environmental studies, astronomy, and more. Thousands of students have successfully used the previous editions of Chemistry: Concepts and Problems, A Self-Teaching Guide to learn chemistry, either independently, as a refresher, or in parallel with a college chemistry course. This newly revised edition includes updates and additions to improve your success in learning chemistry. This book uses an interactive, self-teaching method including frequent questions and study problems, increasing both the speed of learning and retention. Monitor your progress with self-tests, and master chemistry quickly. This revised Third Edition provides a fresh, step-by-step approach to learning that requires no prerequisites, lets you work at your own pace, and reinforces what you learn, ensuring lifelong mastery. Master the science of basic chemistry with this innovative, self-paced study guide Teach yourself chemistry, refresh your knowledge in preparation for medical studies or other coursework, or enhance your college chemistry course Use self-study features including review questions and quizzes to ensure that you’re really learning the material Prepare for a career in the sciences, medicine, or engineering with the core content in this user-friendly guide Authored by expert postsecondary educators, this unique book gently leads students to deeper levels and concepts with practice, critical thinking, problem solving, and self-assessment at every stage.
Download or read book Chemistry Teacher Guide written by Dr. Dennis Englin and published by New Leaf Publishing Group. This book was released on 2018-02-26 with total page 37 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book was created to help teachers as they instruct students through the Master’s Class Chemistry course by Master Books. The teacher is one who guides students through the subject matter, helps each student stay on schedule and be organized, and is their source of accountability along the way. With that in mind, this guide provides additional help through the laboratory exercises, as well as lessons, quizzes, and examinations that are provided along with the answers. The lessons in this study emphasize working through procedures and problem solving by learning patterns. The vocabulary is kept at the essential level. Practice exercises are given with their answers so that the patterns can be used in problem solving. These lessons and laboratory exercises are the result of over 30 years of teaching home school high school students and then working with them as they proceed through college. Guided labs are provided to enhance instruction of weekly lessons. There are many principles and truths given to us in Scripture by the God that created the universe and all of the laws by which it functions. It is important to see the hand of God and His principles and wisdom as it plays out in chemistry. This course integrates what God has told us in the context of this study. Features: Each suggested weekly schedule has five easy-to-manage lessons that combine reading and worksheets. Worksheets, quizzes, and tests are perforated and three-hole punched — materials are easy to tear out, hand out, grade, and store. Adjust the schedule and materials needed to best work within your educational program. Space is given for assignments dates. There is flexibility in scheduling. Adapt the days to your school schedule. Workflow: Students will read the pages in their book and then complete each section of the teacher guide. They should be encouraged to complete as many of the activities and projects as possible as well. Tests are given at regular intervals with space to record each grade. About the Author: DR. DENNIS ENGLIN earned his bachelor’s from Westmont College, his master of science from California State University, and his EdD from the University of Southern California. He enjoys teaching animal biology, vertebrate biology, wildlife biology, organismic biology, and astronomy at The Master’s University. His professional memberships include the Creation Research Society, the American Fisheries Association, Southern California Academy of Sciences, Yellowstone Association, and Au Sable Institute of Environmental Studies.
Download or read book Practical Process Research Development written by Neal G. Anderson and published by Academic Press. This book was released on 2000-03 with total page 354 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a comprehensive, step-by-step approach to organic process research and development in the pharmaceutical, fine chemical, and agricultural chemical industries. Process R&D describes the steps taken, following synthesis and evaluation, to bring key compounds to market in a cost-effective manner. More people are being hired for work in this area as increasing numbers of drug candidates are identified through combinatorial chemistry and high-throughput screening. The book is directed to industrial (primarily organic) chemists, and academicians (particularly those involved in a growing number of start-up companies) and students who need insight into industrial process R&D. Current books do not describe hands-on, step-by-step, approaches to solving process development problems, including route, reagent, and solvent selection; optimising catalytic reactions; chiral syntheses; and "green chemistry." "Practical Process Research and Development" will be a valuable resource for researchers, managers, and graduate students. * Provides insights into generating rugged, practical, cost-effective processes for the chemical preparation of "small molecules" * Breaks down process optimization into route, reagent and solvent selection, development of reaction conditions, workup, crystallizations and more * Includes over 100 tips for rapid process development * Presents guidelines for implementing and troubleshooting processes
Download or read book Excel for Chemists written by E. Joseph Billo and published by John Wiley & Sons. This book was released on 2004-03-22 with total page 483 pages. Available in PDF, EPUB and Kindle. Book excerpt: Reviews from the First Edition: "Excel® for Chemists should be part ofany academic library offering courses and programs in chemistry.There is no other book on the market that deals so thoroughly withthe application of Excel for analyzing chemical data. Highlyrecommended, for upper-division undergraduates throughprofessionals." -Choice "I highly recommend this book; treat yourself to it; assign itto a class; give it as a gift." -The Nucleus Chemists across all subdisciplines use Excel to record data intabular form, but few have learned to take full advantage of thescientific calculating power within this program. Excel is capableof helping chemists process, analyze, and present scientific data,from the relatively simple to the highly complex.Excel® for Chemists, Second Edition has beenrevised and updated, not only to take into account the changes thatwere made in Excel, but also to incorporate an abundance of newexamples. Arranged in a user-friendly format, this book containsillustrations and examples of chemical applications, useful "Howto" boxes outlining how to accomplish complex tasks in Excel, andstep-by-step instructions for programming Excel to automaterepetitive data-processing tasks. In addition, tips are provided tospeed, simplify, and improve your use of Excel. Included is aCD-ROM, usable in either Macintosh or IBM/Windows environments withmany helpful spreadsheet templates, macros, and other tools. Entirely new chapters contained in this Second Editionfeature: Array formulas covered in depth in a separate chapter, alongwith a comprehensive review of using arrays in VBA How to create a worksheet with controls, such as optionbuttons, check boxes, or a list box An extensive list of shortcut keys-over 250 for Macintosh orPC-is provided in the appendix Whether as a text for students or as a reference for chemicalprofessionals in industry, academia, or government,Excel® for Chemists, Second Edition providesa valuable resource for using Excel to manage various chemicalcalculations.
Download or read book A Short Guide to Writing about Chemistry written by Holly Davis and published by Pearson. This book was released on 2010 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: "This useful writing guide, by a team that includes two prominent chemists and the author of Pearson's best-selling A Short Guide to Writing About Biology, teaches students to think as chemists and to express ideas clearly and concisely through their writing"--Back cover
