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Chemistry as a Game of Molecular Construction

Author: Sason Shaik

Publisher: John Wiley & Sons

Published: 2016-03-07

Total Pages: 416

ISBN-13: 1119001404

Chemistry as a Game of Molecular Construction: The Bond-Click Way utilizes an innovative and engaging approach to introduce students to the basic concepts and universal aspects of chemistry, with an emphasis on molecules’ beauty and their importance in our lives. • Offers a unique approach that portrays chemistry as a window into mankind’s material-chemical essence • Reveals the beauty of molecules through the “click” method, a teaching methodology comprised of the process of constructing molecules from building blocks • Styles molecular construction in a way that reveals the universal aspect of chemistry • Allows students to construct molecules, from the simple hydrogen molecule all the way to complex strands of DNA, thereby showing the overarching unity of matter • Provides problems sets and solutions for each chapter

Chemistry as a Game of Molecular Construction

Author: Sason Shaik

Publisher: John Wiley & Sons

Published: 2016-02-04

Total Pages: 416

ISBN-13: 1119001439

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Equilibrium Molecular Structures

Author: Jean Demaison

Publisher: CRC Press

Published: 2016-04-19

Total Pages: 302

ISBN-13: 1439811350

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Molecular structure is the most basic information about a substance, determining most of its properties. Determination of accurate structures is hampered in that every method applies its own definition of "structure" and thus results from different sources can yield significantly different results. Sophisticated protocols exist to account for these

Molecular Modelling for Beginners

Author: Alan Hinchliffe

Publisher: John Wiley & Sons

Published: 2011-08-17

Total Pages: 369

ISBN-13: 1119964814

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A concise, basic introduction to modelling and computational chemistry which focuses on the essentials, including MM, MC, and MD, along with a chapter devoted to QSAR and Discovery Chemistry. Includes supporting website featuring background information, full colour illustrations, questions and answers tied into the text,Visual Basic packages and many realistic examples with solutions Takes a hands-on approach, using state of the art software packages G03/W and/or Hyperchem, Gaussian .gjf files and sample outputs. Revised with changes in emphasis and presentation to appeal to the modern student.

The Chemical Bond

Author: Ahmed Zewail

Publisher: Elsevier

Published: 1992-05-14

Total Pages: 333

ISBN-13: 008092669X

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This inspired book by some of the most influential scientists of our time--including six Nobel laureates--chronicles our emerging understanding of the chemical bond through the last nine decades and into the future. From Pauling's early structural work using x-ray and electron diffraction to Zewail's femtosecond lasers that probe molecular dynamics in real time; from Crick's molecular biology to Rich's molecular recognition, this book explores a rich tradition of scientific heritage and accomplishment. The perspectives given by Pauling, Perutz, Rich, Crick, Porter, Polanyi, Herschbach, Zewail, and Bernstein celebrate major scientific achievements in chemistry and biology with the chemical bond playing a fundamental role. In a unique presentation that also provides some lively insights into the very nature of scientific thought and discovery, The Chemical Bond: Structure and Dynamics will be of general interest to scientists, science historians, and the scientifically inclined populous.

Organic Chemistry: The Name Game

Author: Alex Nickon

Publisher: Elsevier

Published: 2013-10-22

Total Pages: 360

ISBN-13: 1483145239

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Organic Chemistry: The Name Game: Modern Coined Terms and their Origins is a lighthearted take on the usually difficult and systematic nomenclature found in organic chemistry. However, despite the lightheartedness, the book does not lose its purpose, which is to serve as a source of information on this particular subject of organic chemistry. The book, arranged into themes, discusses some organic compounds and how they are named based on their structure, makeup, and components. The text also explains the use of Greek and Latin prefixes in nomenclature and many other principles in nomenclature. The book also includes an appendix that contains very useful information on nomenclature, such as the etymology of certain element and chemical names, numerical prefixes, and the Greek alphabet. The text is not only for students who wish to be familiarized with a different style of organic chemistry nomenclature, but also for professors who aim to give students an enjoyable yet memorable learning experience.

Mathematical Chemistry and Chemoinformatics

Author: Adalbert Kerber

Publisher: Walter de Gruyter

Published: 2013-12-12

Total Pages: 521

ISBN-13: 3110254077

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More than 20 years of experience in molecular structure generation, from conceptualization through to applications Innovative, interdisciplinary text demonstrating example queries with software packages such as MOLGEN-online Detailed explanations on establishing QSPRs and QSARs as well as structure elucidation using mass spectrometry and structure generation. Aims and Scope This work provides an introduction to mathematical modeling of molecules and the resulting applications (structure generation, structure elucidation, QSAR/QSPR etc.). Most chemists have experimented with some software that represents molecules in an electronic form, and such models and applications are of increasing interest in diverse and growing fields such as drug discovery, environmental science and metabolomics. Furthermore, structure generation remains the only way to systematically create molecules that are not (yet) present in a database. This book starts with the mathematical theory behind representing molecules, explaining chemical concepts in mathematical terms and providing exercises that can be completed online. The later chapters cover applications of the theory, with detailed explanations on QSPR and QSAR investigations and finally structure elucidation combining mass spectrometry and structure generation. This book is aimed in particular at the users of structure generation methods and corresponding techniques, but also for those interested in teaching and learning mathematical chemistry, and for software designers in chemoinformatics.

Molecular Mechanics Across Chemistry

Author: Anthony K. Rappé

Publisher: University Science Books

Published: 1997-05-07

Total Pages: 480

ISBN-13: 9780935702774

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The remarkable breadth of modern molecular mechanics is covered in this textbook, developed for an undergraduate or first-time course on molecular mechanics. With applications ranging from drug design to homogeneous transition metal catalysis, the book implements a case-study approach designed to give readers exposure to the relevance and utility of molecular mechanics, as well as the opportunity to study a particular problem and its solution in depth.

Computational Quantum Chemistry

Author: Joseph J. W. McDouall

Publisher: Royal Society of Chemistry

Published: 2013

Total Pages: 291

ISBN-13: 1849736081

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Computational Quantum Chemistry presents computational electronic structure theory as practiced in terms of ab initio waveform methods and density functional approaches. Getting a full grasp of the field can often prove difficult, since essential topics fall outside of the conventional chemistry education. This professional reference book provides a comprehensive guide to the field. Postgraduate students and experienced researchers alike will appreciate Joseph McDouall's engaging writing style. The book is divided into five sections, each covering a major aspect of the field and with its own introduction. Molecular properties and relativistic effects are also discussed. An appendix describes software packages and website for further reading to enhance the knowledge gained from the book. Professor McDouall has more than 20 years experience in theoretical chemistry; as a reader at the University of Manchester his research interests include the application of quantum chemical methods to the elucidation of chemical problems and the development and implementation of electronic structure methods that permit the accurate prediction of chemical structures and molecular properties.

A Chemist's Guide to Valence Bond Theory

Author: Sason S. Shaik

Publisher: John Wiley & Sons

Published: 2007-12-10

Total Pages: 332

ISBN-13: 0470192585

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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.