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1.

図書

図書
V. V. Boldyrev, M. Bulens, and B. Delmon
出版情報: Amsterdam ; Tokyo : Elsevier Scientific , New York : Distributors for the United States and Canada, Elsevier/North-Holland, 1979  viii, 226 p. ; 25 cm
シリーズ名: Studies in surface science and catalysis ; 2
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2.

図書

図書
Fischer, Hanns ; Labarre, Jean-François ; Crasnier, François
出版情報: Berlin ; New York : Springer-Verlag, 1971  54 p. ; 24 cm
シリーズ名: Fortschritte der chemischen Forschung ; 24
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目次情報:
Chemically induced dynamic nuclear polarization, by H. Fischer
Critique of the motion of aromaticity, by J.-F. Labarre and F. Crasnier
Chemically induced dynamic nuclear polarization, by H. Fischer
Critique of the motion of aromaticity, by J.-F. Labarre and F. Crasnier
3.

図書

図書
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.
4.

図書

図書
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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5.

図書

図書
edited by N.B. Hannay
出版情報: New York : Plenum Press, c1976  xvii, 721 p. ; 26 cm
シリーズ名: Treatise on solid state chemistry ; v. 4
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6.

図書

図書
M. Liler
出版情報: London ; New York : Academic Press, 1971  xiii, 350 p. ; 24 cm
シリーズ名: Organic chemistry : a series of monographs ; v. 23
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7.

図書

図書
By R. Daudel. [translated from the French]
出版情報: Dordrecht ; Boston : Reidel, c1973  vii, 162 p. ; 25 cm
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8.

図書

図書
edited by John Wood ... [et al.]
出版情報: New York ; London : Plenum Press, 1977  xx,810p ; 26cm
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9.

図書

図書
Brian Capon and Samuel P. McManus
出版情報: New York : Plenum Press, c1976-  v. ; 24 cm
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10.

図書

図書
edited by Alejandro Toro-Labbé
出版情報: Amsterdam : Elsevier, 2007  viii, 321 p. ; 25 cm
シリーズ名: Theoretical and computational chemistry ; 19
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目次情報: 続きを見る
Chemical Reactivity and the Shape Function / Chapter 1:
Density Functional Theory Models of Reactivity Based on an Energetic Criterion / Chapter 2:
The Breakdown of the Maximum Hardness and Minimum Polarizability Principles for Nontotally Symmetric Vibrations / Chapter 3:
Classification of Control Space Parameters for Topological Studies of Reactivity and Chemical Reactions / Chapter 4:
Understanding and Using the Electron Localization Function (ELF) / Chapter 5:
Electronic Structure and Reactivity in Double of Rydberg Anions: Characterization of a Novel Kind of Electron Pair / Chapter 6:
Using the Reactivity-Selectivity Descriptor Dgr;f(r)in Organic Chemistry / Chapter 7:
The Average Local Ionization Energy: Concepts and Applications / Chapter 8:
The Electrophilicity Index in Organic Chemistry / Chapter 9:
Electronic Structure and Reactivity of Aromatic Metal Clusters / Chapter 10:
Small Gold Clusters Form Nonconventional Hydrogen Bonds X-H-Au: Gold-Water Clusters as Example / Chapter 11:
Theoretical Design of Electronically Stabilized Molecules Containing Planar Tetracoordinate Carbons / Chapter 12:
Chemical Reactivity Dynamics in Ground and Excited Electronic States / Chapter 13:
Quantum Chemical Topology and Reactivity: A Comparative Static and Dynamic Study on a S N 2 Reaction / Chapter 14:
1,4-Dihydropyridine Calcium Channel Blockers with Electronic Descriptors Produced by Quantum Chemical Topology / Chapter 15:
Chemical Reactivity and the Shape Function / Chapter 1:
Density Functional Theory Models of Reactivity Based on an Energetic Criterion / Chapter 2:
The Breakdown of the Maximum Hardness and Minimum Polarizability Principles for Nontotally Symmetric Vibrations / Chapter 3:
11.

図書

図書
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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目次情報: 続きを見る
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
12.

図書

図書
edited by Gilles Klopman
出版情報: New York : Wiley, c1974  369 p. ; 23 cm
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13.

電子ブック

EB
V.V. Boldyrev, M. Bulens, and B. Delmon
出版情報: Amsterdam ; New York : New York : Elsevier Scientific Pub. Co. ; Distributors for the United States and Canada, Elsevier/North-Holland, 1979  1 online resource (viii, 226 pages)
シリーズ名: Studies in surface science and catalysis ; 2
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14.

図書

図書
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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目次情報: 続きを見る
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:
15.

図書

図書
edited by Paul S. Braterman
出版情報: New York : Plenum Press, c1986-c1989  2 v. ; 26 cm
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16.

図書

図書
by N. N. Semenov ; translated [from the Russian] by Michel Boudart
出版情報: Princeton : Princeton University Press, 1958-59  2 v. ; 23 cm
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