Theoretical Principles of Organic Chemistry
نویسندگان
چکیده
منابع مشابه
2 Theoretical Organic Chemistry
Theoretical organic chemistry encompasses a wide range of topics, spanning from high level electronic structural calculations of simple organic molecules using well-established ab initio molecular orbital or density functional theory techniques to computer simulations of chemical reactions and interactions in solution. This article is divided into two sections: theoretical developments and appl...
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The glossary contains de®nitions and explanatory notes for more than 450 terms used in the context of multidisciplinary research and publications related to applications of modern theoretical concepts, computational and graph-theoretical methods to investigation into structure, reactivity, spectroscopic and other physical and physicochemical properties of organic, organometallic and metal coord...
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Theoretical concepts permeate chemistry more thoroughly than we often think. Chemists are intuitively familiar with different types of chemical bonding; with the structure, spectroscopy, and dynamics of molecules; and with the variety of different possible chemical reactions. They use theory-based concepts, for example from quantum mechanics or statistical mechanics, to describe and analyze che...
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ژورنال
عنوان ژورنال: Nature
سال: 1959
ISSN: 0028-0836,1476-4687
DOI: 10.1038/183852a0