Titlebook: Computational Advances in Organic Chemistry: Molecular Structure and Reactivity; Cemil Ögretir,Imre G. Csizmadia Book 1991 Springer Scienc

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Structural Change in Macroeconomic Modelsesses. The acidcatalyzed hydrogenation of ethylene, the Friedel-Crafts reaction and the charge transfer processes catalyzed by external electric fields have been selected as examples ranging from a large to a small intervention of the catalyst in the internal reaction coordinate. In the extremum cas

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Charles Pearson,Maynard Hufschmidt use of statistical methods to study GC retention factors are covered. Semiempirical methods are used to study the tautomeric equilibria of heteroaromatic compounds in solution. The review ends with a brief overview of molecule and reaction databases.

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New Opportunities for the Organic Chemist in the Computer Age, use of statistical methods to study GC retention factors are covered. Semiempirical methods are used to study the tautomeric equilibria of heteroaromatic compounds in solution. The review ends with a brief overview of molecule and reaction databases.

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Computational Advances in Organic Chemistry: Molecular Structure and Reactivity978-94-011-3262-6Series ISSN 1389-2185

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https://doi.org/10.1007/978-1-349-16673-2Throughout the years some magic has been attached to everything that is theoretical in chemistry and by now a certain amount of mythology has evolved around Quantum Chemistry as it may be applied to study organic problems. For this reason some demythologization is in order. This is hoped to be achieved in five brief statements.

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Sayema Haque Bidisha,Selim RaihanThe basic equations of the semi-empirical methods of quantum chemistry are developed and the most commonly used approximations are given and their utility in solving chemical problems is dicussed. The principles of molecular mechanics are presented with a special emphasis on the molecular force field and on the possible chemical applications.

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Some Fundamentals of Molecular Orbital Computations,Throughout the years some magic has been attached to everything that is theoretical in chemistry and by now a certain amount of mythology has evolved around Quantum Chemistry as it may be applied to study organic problems. For this reason some demythologization is in order. This is hoped to be achieved in five brief statements.