Molecular Structure

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Understanding Steric and Electronic Effects from Molecular Mechanics

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Molecular Structure

Understanding Steric and Electronic Effects from Molecular Mechanics

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.

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مغایرت عنوان کتاب با توضیحات و تصویر جلد
عدم رعایت حقوق نشر طبق قوانین جمهوری اسلامی ایران
محتوای مستهجن
توهین به قومیتها و محتوای نژادپرستی
توهین به اقیلیتهای مذهبی
اهانت به مقامات سیاسی و مذهبی
اشاعه ی کودک آزاری
سایر موارد

بستن

فرمت کتاب

ebook

زبان

english

تاریخ انتشار

2010

نویسنده

Donald W. Rogers

ناشر

Wiley

شابک

9780470608845

20,000 تومان

خرید کتاب مطالعه نمونه درخواست ترجمه کتاب

خرید کتاب Molecular Structure

Molecular Structure

گزارش تخلف

فرمت کتاب

ebook

زبان

english

تاریخ انتشار

2010

نویسنده

ناشر

شابک

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