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1.

図書
図書
1. Solvent effects and chemical reactivity
edited by Orlando Tapia and Juan Bertrán
出版情報: Boston : Kluwer Academic Publishers, 1996  x, 377 p. ; 25 cm
シリーズ名: Understanding chemical reactivity ; v. 17
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目次情報: 続きを見る
Preface
Continuum Solvation Models / C.J. Cramer ; D.G. Truhlar
Theoretical Basis for the Treatment of Solvent Effects in the Context of Density Functional Theory / R. Contreras, et al.
Monte Carlo Simulations of Chemical Reactions in Solution / A. Gonzalez-Lafont, et al.
Computer Simulation for Chemical Systems: From Vacuum to Solution / G. Corongiu, et al.
Crossing the Transition State in Solution / J.T. Hynes
Valence Bond Multistate Approach to Chemical Reactions in Solution / R. Bianco
Quantum Theory of Solvent Effects and Chemical Reactions / O. Tapia, et al.
Index
Preface
Continuum Solvation Models / C.J. Cramer ; D.G. Truhlar
Theoretical Basis for the Treatment of Solvent Effects in the Context of Density Functional Theory / R. Contreras, et al.
2.

図書
図書
2. Molecular similarity and reactivity : from quantum chemical to phenomenological approaches
edited by Ramon Carbó
出版情報: Dordrecht ; Boston : Kluwer Academic, c1995  vii, 321 p. ; 25 cm
シリーズ名: Understanding chemical reactivity ; v. 14
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3.

図書
図書
3. Guidelines for chemical reactivity evaluation and application to process design
American Institute of Chemical Engineers. Center for Chemical Process Safety
出版情報: New York : Center for Chemical Process Safety of the American Institute of Chemical Engineers, c1995  xxvii, 210 p. ; 24 cm
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List of Tables
List of Figures
Preface
Acknowledgments
Glossary
List of Symbols
Introduction / Chapter 1：
General / 1.1：
Chemical Reactivity / 1.2：
Detonations, Deflagrations, and Runaways / 1.3：
Assessment and Testing Strategies / 1.4：
Identification of Hazardous Chemical Reactivity / Chapter 2：
Summary/Strategy / 2.1：
Hazard Identification Strategy / 2.1.1：
Exothermic Reactions / 2.1.3：
Experimental Thermal and Reactivity Measurements / 2.1.4：
Test Strategies / 2.1.5：
Overview of Thermal Stability Test methods / 2.1.6：
Examples of Interpretation and Application of Test Data / 2.1.7：
Technical Section / 2.2：
Identification of High Energy Substances / 2.2.2：
Hazard Prediction by Thermodynamic Calculations / 2.2.3：
Oxygen Balance / 2.2.3.1：
Calculation of the Reaction Enthalpy / 2.2.3.2：
Application of Computer Programs / 2.2.3.3：
Instability/Incompatibility Factors / 2.2.4：
Factors Influencing Stability / 2.2.4.1：
Redox Systems / 2.2.4.2：
Reactions with Water / 2.2.4.3：
Reactions between Halogenated Hydrocarbons and Metals / 2.2.4.4：
Practical Testing / 2.3：
Screening Tests / 2.3.1：
Thermal Analysis / 2.3.1.1：
Isoperibolic Calorimetry / 2.3.1.2：
Thermal Stability and Runaway Testing / 2.3.2：
Isothermal Storage Tests / 2.3.2.1：
Dewar Flask Testing and Adiabatic Storage Tests / 2.3.2.2：
Accelerating Rate Calorimeter (ARC) / 2.3.2.3：
Stability Tests for Powders / 2.3.2.4：
Explosibility Testing / 2.3.3：
.Detonation Testing / 2.3.3.1：
Deflagration Testing and Autoclave Testing / 2.3.3.2：
Mechanical Sensitivity Testing / 2.3.3.3：
Sensitivity to heating Under Confinement / 2.3.3.4：
Reactivity Testing / 2.3.4：
Pyrophoric Properties / 2.3.4.1：
Reactivity with Water / 2.3.4.2：
Oxidizing Properties / 2.3.4.3：
Flammability Testing / 2.3.5：
Chemical Reactivity Considerations in Process/Reactor Design and Operation / Chapter 3：
Thermal Hazards: Identification and Analysis / 3.1：
Cause, Definition, and Prevention of a Runaway / 3.1.1.1：
Some Simple Rules for Inherent Safety / 3.1.1.2：
Strategy for Inherent Safety in Design and Operation / 3.1.1.3：
Equipment to be Used for the Analysis of Hazards / 3.1.1.4：
Reactor, Heat and Mass Balance Considerations / 3.2：
Heat and Mass Balances, Kinetics, and Reaction Stability / 3.2.1：
Adiabatic Temperature Rise / 3.2.1.1：
The Reaction / 3.2.1.2：
Reaction Rate / 3.2.1.3：
Reaction Rate Constant / 3.2.1.4：
Concentration of Reactants / 3.2.1.5：
Effect of Surrounding Temperature on Stability / 3.2.1.6：
Effect of Agitation and Surface Fouling on Stability / 3.2.1.7：
Mass Balance / 3.2.1.8：
Choice of Reactor / 3.2.2：
Heat Transfer / 3.2.3：
Heat Transfer in Nonagitated Vessels / 3.2.3.1：
Heat Transfer in Agitated Vessels / 3.2.3.2：
Acquisition and Use of Process Design data / 3.3：
Bench-Scale Equipment for Batch/Tank Reactors / 3.3.1：
Reaction Calorimeter (RC1) / 3.3.2.1：
Contalab / 3.3.2.2：
CPA ThermoMetric Instruments / 3.3.2.3：
Quantitative Reaction Calorimeter / 3.3.2.4：
Specialized Rectors / 3.3.2.5：
Vent Size Package (VSP) / 3.3.2.6：
Reactive System Screening Tool (RSST) / 3.3.2.7：
Process Safety for Reactive Systems / 3.3.3：
Test Plan / 3.3.3.1：
System Under Investigation / 3.3.3.2：
Test Results / 3.3.3.3：
Malfunction and Process Deviation Testing / 3.3.3.4：
Pressure Effect / 3.3.3.5：
Results from the ARC, RSST, and VSP / 3.3.3.6：
Scale-up and Pilot Plants / 3.3.4：
General Remarks / 3.3.4.1：
Chemical Kinetics. 3 / 3.3.4.2：
List of Tables
List of Figures
Preface
4.

図書
図書
4. Stereoelectronic effects. Repr., with corrections (: pbk)
A.J. Kirby
出版情報: Oxford : Oxford University Press, 1998, c1996  89 p. ; 25 cm
シリーズ名: Oxford chemistry primers ; 36
Oxford science publications
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Introduction
The electronic basis of stereoelectronic effects / 1：
Effects on conformation / 2：
Effects on reactivity / 3：
Substitutions at saturated centres / 4：
Additions and eliminations / 5：
Rearrangements and fragmentations / 6：
Radical reactions / 7：
Introduction
The electronic basis of stereoelectronic effects / 1：
Effects on conformation / 2：
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