Molecular Structure: Understanding Steric and Electronic Effects from Molecular Mechanics
- ISBN-10
- 1118043529
- ISBN-13
- 9781118043523
- Category
- Science
- Pages
- 356
- Language
- English
- Published
- 2010-12-15
- Publisher
- John Wiley & Sons
- Author
- Norman L. Allinger
Description
A guide to analyzing the structures and properties of organic molecules Until recently, the study of organic molecules has traveled down two disparate intellectual paths—the experimental, or physical, method and the computational, or theoretical, method. Working somewhat independently of each other, these disciplines have guided research for decades, but they are now being combined efficiently into one unified strategy. Molecular Structure delivers the essential fundamentals on both the experimental and computational methods, then goes further to show how these approaches can join forces to produce more effective analysis of the structure and properties of organic compounds by: Looking at experimental structures: electron, neutron, X-ray diffraction, and microwave spectroscopy as well as computational structures: ab initio, semi-empirical molecular orbital, and molecular mechanics calculations Discussing various electronic effects, particularly stereoelectronic effects, including hyperconjugation, negative hyperconjugation, the Bohlmann and anomeric effects, and how and why these cause changes in structures and properties of molecules Illustrating complex carbohydrate effects such as the gauche effect, the delta-two effect, and the external anomeric torsional effect Covering hydrogen bonding, the CH bond, and how energies, especially heats of formation, can be affected Using molecular mechanics to tie all of these things together in the familiar language of the organic chemist, valence bond pictures Authored by a founding father of computational chemistry, Molecular Structure broadens the scope of the subject by serving as a pioneering guide for workers in the fields of organic, biological, and computational chemistry, as they explore new possibilities to advance their discoveries. This work will also be of interest to many of those in tangential or dependent fields, including medicinal and pharmaceutical chemistry and pharmacology.
Get the book
Similar books
-
Chemistry: An Introduction to General, Organic and Biological Chemistry
By Karen C. TimberlakeThis new edition introduces more problem-solving strategies and new conceptual and challenge problems. Also, each Chapter Review has been enhanced with Learning Goals to reinforce the mastery of concepts for students.
-
Chemistry: An Introduction to General, Organic, and Biological Chemistry
By Karen TimberlakeThis laboratory manual contains 42 experiments for the standard sequence of topics in general, organic, and biological chemistry.
-
Basic Chemistry
By Karen C. TimberlakeThe book guides students through basic chemistry problem solving with engaging visuals and a focus on developing the math skills necessary to be successful in the course.
-
General, Organic, and Biological Chemistry: Structures of Life, eBook, Global Edition
By Karen C. TimberlakeThe full text downloaded to your computer With eBooks you can: search for key concepts, words and phrases make highlights and notes as you study share your notes with friends eBooks are downloaded to your computer and accessible either ...
-
Basic Chemistry
By Karen C. Timberlake, William E. TimberlakeBasic Chemistry
-
Basic Chemistry, Books a la Carte Edition
By Karen C. TimberlakeBasic Chemistry, Books a la Carte Edition
-
Essential Laboratory Manual for General, Organic and Biological Chemistry
By Karen C. TimberlakeEssential Laboratory Manual for General, Organic and Biological Chemistry
-
Basic Chemistry, Global Edition
By Karen C. Timberlake, Bill TimberlakeThe main objective in writing this text is to make the study of chemistry an engaging and a positive experience for students by relating the structure and behaviour of matter to real life.
-
General, Organic, and Biological Chemistry: An Integrated Approach
By Karen C. Timberlake, Laura D. Frost, Todd S. DealThe eText pages look exactly like the printed text, and include powerful interactive and customization functions. This is the product access code card for MasteringChemistry with Pearson eText and does not include the actual bound book.
-
Chemistry: An Introduction to General, Organic, and Biological Chemistry
By Karen C. TimberlakeHealth, Environmental, and Green Chemistry Notes throughout the text relate chemistry chapters to real-life topics in health, the environment, and medicine that are interesting and motivating to students.