Quantum Chemistry of Organic Compounds

Quantum Chemistry of Organic Compounds

Author: Vladimir I. Minkin

Publisher: Springer Science & Business Media

ISBN: 9783642756795

Category: Science

Page: 270

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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 effects. It is written by professional, accomplished organic chemists for other organic chemists; it is consistently even-toned in its presentation of contending approaches. And very much up to date. That this contemporary work should emerge from a regional university in a country in which science has been highly centralized and organic chemistry not very modern, invites reflection.
Quantum Chemistry of Organic Compounds
Language: en
Pages: 270
Authors: Vladimir I. Minkin, Boris Ya. Simkin, Ruslan M. Minyaev
Categories: Science
Type: BOOK - Published: 2012-12-06 - Publisher: Springer Science & Business Media

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
Quantum Chemistry of Organic Compounds
Language: en
Pages: 270
Authors: Vladimir I. Minkin, Boris Ya. Simkin, Ruslan M. Minyaev
Categories: Science
Type: BOOK - Published: 1990-10-17 - Publisher: Springer

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
Theoretical Organic Chemistry
Language: en
Pages: 621
Authors: C. Párkányi
Categories: Science
Type: BOOK - Published: 1997-12-09 - Publisher: Elsevier

This volume is devoted to the various aspects of theoretical organic chemistry. In the nineteenth century, organic chemistry was primarily an experimental, empirical science. Throughout the twentieth century, the emphasis has been continually shifting to a more theoretical approach. Today, theoretical organic chemistry is a distinct area of research, with
Reviews in Computational Chemistry
Language: en
Pages: 432
Authors: Kenny B. Lipkowitz, Donald B. Boyd
Categories: Science
Type: BOOK - Published: 2003-05-08 - Publisher: John Wiley & Sons

Computational chemistry is increasingly used in most areas ofmolecular science including organic, inorganic, medicinal,biological, physical, and analytical chemistry. Researchers inthese fields who do molecular modelling need to understand and staycurrent with recent developments. This volume, like those prior toit, features chapters by experts in various fields of computationalchemistry. Two chapters
Computational Chemistry
Language: en
Pages: 408
Authors: David Young
Categories: Science
Type: BOOK - Published: 2004-04-07 - Publisher: John Wiley & Sons

A practical, easily accessible guide for bench-top chemists, thisbook focuses on accurately applying computational chemistrytechniques to everyday chemistry problems. Provides nonmathematical explanations of advanced topics incomputational chemistry. Focuses on when and how to apply different computationaltechniques. Addresses computational chemistry connections to biochemicalsystems and polymers. Provides a prioritized list of methods