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Content: Cover -- Advances in Physical Organic Chemistry -- Contents -- Editor's preface -- Contributors to Volume 40 -- Carbenes generated within cyclodextrins and zeolites -- Introduction -- Guest@Host -- Guests -- Hosts -- Objectives -- Shape Selectivity -- Steering Reaction Outcomes -- Control Carbene Spin State -- Control Intramolecular Reactions -- Inhibit intermolecular reactions -- Supramolecular carbene chemistry -- Carbene Reactions -- Phase Transfer Catalysis -- Choice of Carbenes -- Case Studies -- Conclusions -- Acknowledgments -- References -- Mechanistic studies on enzyme-catalyzed phosphoryl transfer -- Introduction -- Mechanistic Possibilities for Phosphoryl Transfer -- Nomenclature Issues -- Uncatalyzed reactions of phosphomonoesters -- Dianions of Phosphomonoesters -- Monoanions of Phosphomonoesters -- Uncatalyzed reactions of phosphodiesters -- Uncatalyzed reactions of phosphotriesters -- Implications for enzymatic catalysis -- Enzymes that catalyze transfer of the phosphoryl (PO3) group -- Phosphatases: General -- Alkaline Phosphatase -- Acid Phosphatase -- Purple Acid Phosphatases -- Ser/Thr Protein Phosphatases -- Protein-Tyrosine Phosphatases (PTPASES) -- Ras -- Phosphoglucomutases -- Phosphodiesterases -- Staphylococcal Nuclease -- Ribonuclease (RNASE) -- Phosphotriesterases -- References -- Finite molecular assemblies in the organic solid state: toward engineering properties of solids -- Introduction -- Finite molecular assemblies -- Supramolecular synthons, finite assemblies, and functional solids -- Finite assemblies in the solid state -- Synthons -- Synthetic Assemblies -- Functional Assemblies -- Our approach: template-controlled solid-state reactivity -- Linear Templates -- Target-Oriented Syntheses -- Summary and outlook -- Acknowledgment -- References -- The physical organic chemistry of very high-spin polyradicals -- Introduction -- Exchange coupling and magnetism -- Preparation and characterization of polyarylmethyl polyradicals -- High-spin versus low-spin polyradicals -- Diradicals -- Triradicals -- Tetraradicals -- Diradical Anions and Diradical Dianions -- Star-branched and dendritic polyarylmethyl polyradicals -- Design of very high-spin polyradicals -- Defects -- Macrocyclic Octaradical and Annelated Macrocyclic Tetradecaradical -- Organic spin clusters -- Dendritic-Macrocyclic Polyradicals -- Macrocyclic-Macrocyclic Polyradicals -- Annelated Macrocyclic Polyradicals -- Very high-spin polyarylmethyl polymers -- Conclusion and outlook -- Acknowledgements -- References -- Computer modeling of enzyme catalysis and its relationship to concepts in physical organic chemistry -- Introduction -- Formulating chemical reactivity in solutions and in enzymes in a computationally convenient way; the empirical valence bond and other QM/MM methods -- The EVB as a basis for LFER in solutions and enzymes -- Proton transport in carbonic anhyd

Author(s): J.P. Richard (Eds.)
Series: Advances in Physical Organic Chemistry 40
Publisher: Elsevier Science & Technology
Year: 2005

Language: English
Pages: 1-334

Content:
Editor's preface
Pages ix-x

Contributors to Volume 40
Pages xi-xi

Carbenes generated within cyclodextrins and zeolites Review Article
Pages 1-47
Murray G. Rosenberg, Udo H. Brinker

Mechanistic studies on enzyme-catalyzed phosphoryl transfer Review Article
Pages 49-108
Alvan C. Hengge

Finite molecular assemblies in the organic solid state: toward engineering properties of solids Review Article
Pages 109-152
Tamara D. Hamilton, Leonard R. MacGillivray

The physical organic chemistry of very high-spin polyradicals Review Article
Pages 153-199
Andrzej Rajca

Computer modeling of enzyme catalysis and its relationship to concepts in physical organic chemistry Review Article
Pages 201-245
Sonja Braun-Sand, Mats H.M. Olsson, Arieh Warshel

Mechanisms of hydrolysis and rearrangements of epoxides Review Article
Pages 247-298
Dale L. Whalen

Author Index
Pages 299-313

Cumulative Index of Authors
Pages 315-316

Cumulative Index of Titles
Pages 317-326

Subject Index
Pages 327-334