Год выпуска: 2010 Автор: Norman L. Allinger Издательство: Страниц: 334 ISBN: 9780470195574
Описание
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...
