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Titlebook: Quantum Chemistry of Organic Compounds; Mechanisms of Reacti Vladimir I. Minkin,Boris Ya. Simkin,Ruslan M. Miny Textbook 1990 Springer-Verl

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书目名称Quantum Chemistry of Organic Compounds
副标题Mechanisms of Reacti
编辑Vladimir I. Minkin,Boris Ya. Simkin,Ruslan M. Miny
视频video
图书封面Titlebook: Quantum Chemistry of Organic Compounds; Mechanisms of Reacti Vladimir I. Minkin,Boris Ya. Simkin,Ruslan M. Miny Textbook 1990 Springer-Verl
描述Chemistry is the science of substances (today we would say molecules) and their transformations. Central to this science is the complexity of shape and function of its typical representatives. There lies, no longer dependent on its vitalistic antecedents, the rich realm of molecular possibility called organic chemistry. In this century we have learned how to determine the three-dimensional structure of molecules. Now chemistry as whole, and organic chemistry in particular, is poised to move to the exploration of its dynamic dimension, the busy business of transformations or reactions. Oh, it has been done all along, for what else is synthesis? What I mean is that the theoretical framework accom­ panying organic chemistry, long and fruitfully laboring on a quantum chemical understanding of structure, is now making the first tentative motions toward building an organic theory of reactivity. The Minkin, Simkin, Minyaev book takes us in that direction. It incorporates the lessons of frontier orbital theory and of Hartree-Fock SCF calculations; what chemical physicists have learned about trajectory calculations of selected reactions, and a simplified treatment of all-important solvent e
出版日期Textbook 1990
关键词Alkene; Cycloaddition; Electrophilic addition; Quantenchemie; aromatic; carbon; chemistry; control; electron
版次1
doihttps://doi.org/10.1007/978-3-642-75679-5
isbn_softcover978-3-642-75681-8
isbn_ebook978-3-642-75679-5
copyrightSpringer-Verlag Berlin Heidelberg 1990
The information of publication is updating

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Potential Energy Surfaces of Chemical Reactions,formation on such a mechanism must include the sequence of these steps (stoichiometric mechanism) as well as the data on their nature. This concerns the data on the structure and energetics of all species involved in the reaction and the solvation shell for every point of the route which leads from
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Effects of the Medium, must take account of effects of the medium, in other words, of the solvent effects. The number of publications is very great devoted to experimental research into the multifarious effects a solvent has on the rate and mechanism of organic reactions which were first detected about one hundred years
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Substitution Reactions,lyze their mechanism. We shall explore the potentialities of theory and try to show the significance of the calculation data for understanding the essence of a reaction mechanism using as examples some typical reactions of organic chemistry. In our presentation we stick to the conventional classific
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