{"product_id":"9780470195574","title":"Molecular Structure: Understanding Steric and Electronic Effects from Molecular Mechanics","description":"\u003ch1\u003eMolecular Structure: Understanding Steric and Electronic Effects from Molecular Mechanics\u003c\/h1\u003e \u003ch2\u003eAllinger, Norman L.; Rogers, Donald W.\u003c\/h2\u003e \u003cp\u003eA guide to analyzing the structures and properties of organic molecules  \u003c\/p\u003e\u003cp\u003eUntil 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.\u003c\/p\u003e \u003cp\u003e\u003ci\u003eMolecular Structure\u003c\/i\u003e 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:\u003c\/p\u003e \u003cul\u003e \u003cli\u003eLooking 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\u003c\/li\u003e \u003c\/ul\u003e \u003cul\u003e \u003cli\u003eDiscussing 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\u003c\/li\u003e \u003c\/ul\u003e \u003cul\u003e \u003cli\u003eIllustrating complex carbohydrate effects such as the gauche effect, the delta-two effect, and the external anomeric torsional effect\u003c\/li\u003e \u003c\/ul\u003e \u003cul\u003e \u003cli\u003eCovering hydrogen bonding, the CH bond, and how energies, especially heats of formation, can be affected\u003c\/li\u003e \u003c\/ul\u003e \u003cul\u003e \u003cli\u003eUsing molecular mechanics to tie all of these things together in the familiar language of the organic chemist, valence bond pictures\u003c\/li\u003e \u003c\/ul\u003e \u003cp\u003eAuthored by a founding father of computational chemistry, \u003ci\u003eMolecular Structure\u003c\/i\u003e 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.\u003c\/p\u003e \u003ch3\u003eDetails\u003c\/h3\u003e \u003cp\u003ePublished by: Wiley\u003c\/p\u003e \u003cp\u003ePublication Date: 2010-08-02\u003c\/p\u003e \u003cp\u003eFormat: Hardcover\u003c\/p\u003e \u003cp\u003eISBN-13: 9780470195574\u003c\/p\u003e \u003cp\u003eDOI: \u003c\/p\u003e \u003cp\u003eDimensions: 238.8cm x157.5cm\u003c\/p\u003e \u003cp\u003ePages: 356.0\u003c\/p\u003e ","brand":"Wiley","offers":[{"title":"Default Title","offer_id":44380581691532,"sku":"9780470195574","price":123.25,"currency_code":"USD","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0710\/9545\/1788\/files\/9780470195574_8d8b34d6-8584-4c5d-a7b5-ec780ffa678a.jpg?v=1762826974","url":"https:\/\/fh90cf-fv.myshopify.com\/products\/9780470195574","provider":"Late Knight Books and Services, LLC","version":"1.0","type":"link"}