| Description |
1 online resource (xvii, 543 pages) : illustrations. |
| Physical Medium |
polychrome |
| Description |
text file |
| Series |
World Scientific series in 20th century chemistry ; vol. 7
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World Scientific series in 20th century chemistry ; vol. 7.
|
| Bibliography |
Includes bibliographical references. |
| Contents |
""CONTENTS""; ""PREFACE""; ""Acknowledgements""; ""Introductory Remarks to the Frontier Orbital Theory""; ""1. Ways of Presenting Molecular Orbitals""; ""1-1. A Simple Example -- π MO's of Ethylene""; ""1-2. In -Phase and Out-of-Phase Overlap between AO's""; ""1-3. Bonding and Antibonding MO's""; ""1-4. Another Example -- π MO' s of Butadiene""; ""1-5. A Molecule and Fragments""; ""2. Frontier Orbital Interactions""; ""2-1. Orbital Interactions""; ""2-2. Electron Delocalization""; ""2-3. Overlap Repulsion""; ""2-4. Frontier Orbitals""; ""2-5. Single- and Multi-Centered Reactions"" |
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""2-6. Numerical Analyses of Interactions""""2-7. Electron Configurations""; ""2-8. Formation and Breaking of Chemical Bonds""; ""Part I The Concept and Formulation""; ""A Molecular Orbital Theory of Reactivity in Aromatic Hydrocarbons""; ""INTRODUCTION""; ""CALCULATION OF ELECTRON DENSITY""; ""COMPARISON WITH EXPERIMENT""; ""THEORETICAL DISCUSSION""; ""ACKNOWLEDGMENTS""; ""APPENDIX. SYMMETRY GROUP AND MODES OF REDUCTION OF SECULAR EQUATIONS ""; ""Molecular Orbital Theory of Orientation in Aromatic, Heteroaromatic, and Other Conjugated Molecules""; ""1. INTRODUCTION"" |
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""2. FUNDAMENTAL POSTULATES""""3. ELECTROPHILIC SUBSTITUTION""; ""Substitution in Heterocyclic Compounds""; ""Nuclear Substitution in Benzene Derivatives""; ""Substitution in Substituted Condensed Aromatics""; ""4. NUCLEOPHILIC SUBSTITUTION""; ""5. RADICAL SUBSTITUTION""; ""6. ADDITION""; ""Interrelations of Quantum-Mechanical Quantities Concerning Chemical Reactivity of Conjugated Molecules""; ""INTRODUCTION""; ""NOTATION""; ""DEFINITIONS OF REACTIVITY QUANTITIES""; ""Hyperconjugation Energy""; ""ALTERNATANT HYDROCARBON""; ""Integral Formulas of Reactivity Quantities"" |
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""Correlation of πrr, Lr, Fr, Sr, and Kr(γ) """"The Relation of the Frontier Electron Density and the Other Reactivity Quantities""; ""The Mathematical Relation between Perturbation and Nonperturbation Treatments""; ""The Relation between Dewar's Localization Energy and Other Quantities ""; ""The Classification of Reactivity Quantities""; ""HETERO-ALTERNANT MOLECULE""; ""DISCUSSION""; ""ACKNOWLEDGMENTS""; ""MO-Theoretical Approach to the Mechanism of Charge Transfer in the Process of Aromatic Substitutions""; ""INTRODUCTION""; ""SECULAR EQUATION AND ITS ROOTS"" |
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""ELECTRON DENSITY AT THE PSEUDOATOM AS A FUNCTION OF h AND γ """"ELECTRON DENSITY AT THE PSEUDOATOM WITH VERY SMALL CONJUGATION""; ""I. Electrophilic Reaction""; ""II. Radical Reaction""; ""III. Nucleophilic Reaction""; ""ELECTRON DENSITY AT THE PSEUDOATOM WITH VERY LARGE CONJUGATION""; ""SOME GENERAL PROPERTIES OF qh CONTOUR DIAGRAM IN AN ALTERNANT HYDROCARBON""; ""THE qh CONTOUR DIAGRAM FOR BENZENE AS AN EXAMPLE""; ""THE INTERPRETATION OF THE MECHANISM OF AROMATIC SUBSTITUTION BY (qh�h, γ) DIAGRAM ""; ""FRONTIER ELECTRON DENSITY AND SUPERDELOCALIZABILITY AS REACTIVITY INDEXES"" |
| Local Note |
eBooks on EBSCOhost EBSCO eBook Subscription Academic Collection - North America |
| Subject |
Molecular orbitals.
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Molecular orbitals. |
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Chemical reactions.
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Chemical reactions. |
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Physical organic chemistry.
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Physical organic chemistry. |
| Genre/Form |
Electronic books.
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| Added Author |
Fujimoto, Hiroshi.
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| Other Form: |
Print version: Fukui, Kenʼichi, 1918-1998. Frontier orbitals and reaction paths. Singapore ; River Edge, N.J. : World Scientific, 1997 9810222416 (DLC) 97036333 (OCoLC)37499933 |
| ISBN |
9789812795847 (electronic book) |
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9812795847 (electronic book) |
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9810222416 |
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9789810222413 |
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