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1.

図書
図書
1. Theories of molecular reaction dynamics : the microscopic foundation of chemical kinetics. 2nd ed
Niels Engholm Henriksen and Flemming Yssing Hansen
出版情報: Oxford : Oxford University Press, 2019  xiii, 443 p. ; 26 cm
シリーズ名: Oxford graduate texts
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目次情報: 続きを見る
Introduction / 1：
Nuclear Dynamics: The Schrodinger Equation / 1.1：
Thermal Equilibrium: The Boltzmann Distribution / 1.2：
Further reading/references
Problems
Gas-Phase Dynamics / Part I：
From Microscopic to Macroscopic Descriptions / 2：
Cross-Sections and Rate Constants / 2.1：
Thermal Equilibrium / 2.2：
Potential Energy Surfaces / 3：
The General Topology of Potential Energy Surfaces / 3.1：
Molecular Electronic Energies, Analytical Results / 3.2：
Bimolecular Reactions, Dynamics of Collisions / 4：
Quasi-Classical Dynamics / 4.1：
Quantum Dynamics / 4.2：
Rate Constants, Reactive Flux / 5：
Classical Dynamics / 5.1：
Bimolecular Reactions, Transition-State Theory / 5.2：
Standard Derivation / 6.1：
A Dynamical Correction Factor / 6.2：
Systematic Derivation / 6.3：
Barrier Crossing, Quantum Mechanics / 6.4：
Applications of Transition-State Theory / 6.5：
Thermodynamic Formulation / 6.6：
Unimolecular Reactions / 7：
True and Apparent Unimolecular Reactions / 7.1：
Dynamical Theories / 7.2：
Statistical Theories / 7.3：
Collisional Energy Transfer and Reaction / 7.4：
Detection and Control of Chemical Dynamics / 7.5：
Microscopic Interpretation of Arrhenius Parameters / 8：
The Pre-Exponential Factor / 8.1：
The Activation Energy / 8.2：
Condensed-Phase Dynamics / Part II：
Introduction to Condensed-Phase Dynamics / 9：
Solvation: The Born and Onsager Models / 9.1：
Diffusion and Bimolecular Reactions / 9.2：
Static Solvent Effects, Transition-State Theory / 10：
An Introduction to the Potential of Mean Force / 10.1：
Transition-State Theory and the Potential of Mean Force / 10.2：
Dynamic Solvent Effects: Kramers Theory and Beyond / 11：
Brownian Motion, the Langevin Equation / 11.1：
Kramers Theory for the Rate Constant / 11.2：
Beyond Kramers: Grote-Hynes Theory and MD / 11.3：
Appendices / Part III：
Adiabatic and Non-Adiabatic Electron-Nuclear Dynamics / Appendix A：
Statistical Mechanics / Appendix B：
A System of Non-Interacting Molecules / B.1：
Classical Statistical Mechanics / B.2：
Microscopic Reversibility and Detailed Balance / Appendix C：
Microscopic Reversibility / C.1：
Detailed Balance / C.2：
Cross-sections in Various Frames / Appendix D：
Elastic and Inelastic Scattering of Two Molecules / D.1：
Reactive Scattering between Two Molecules / D.2：
Internal Kinetic Energy, Jacobi Coordinates / Appendix E：
Diagonalization of the Internal Kinetic Energy / E.1：
Mass-Weighted Skewed Angle Coordinate Systems / E.2：
Small-Amplitude Vibrations, Normal-Mode Coordinates / Appendix F：
Diagonalization of the Potential Energy / F.1：
Transformation of the Kinetic Energy / F.2：
Transformation of Phase-Space Volumes / F.3：
Quantum Mechanics / Appendix G：
Basic Axioms of Quantum Mechanics / G.1：
Application of the Axioms-Examples / G.2：
The Flux Operator / G.3：
Time-Correlation Function of the Flux Operator / G.4：
An Integral / Appendix H：
Dynamics of Random Processes / Appendix I：
The Fokker-Planck Equation / I.1：
The Chandrasekhar Equation / I.2：
Multidimensional Integrals, Monte Carlo Method / Appendix J：
Random Sampling and Importance Sampling / J.1：
Index
Introduction / 1：
Nuclear Dynamics: The Schrodinger Equation / 1.1：
Thermal Equilibrium: The Boltzmann Distribution / 1.2：
2.

図書
図書
2. Molecular dynamics of nanostructures and nanoionics : simulations in complex systems (:hbk)
Junko Habasaki
出版情報: Singapore : Jenny Stanford, c2021  xx, 318 p. ; 24 cm
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3.

図書
図書
3. Molecular reaction dynamics and chemical reactivity (: pbk)
Raphael D. Levine, Richard B. Bernstein
出版情報: New York : Oxford University Press, 1987  xii, 535 p. ; 24 cm
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目次情報: 続きを見る
Understanding Molecular Collisions / Part 1：
What is Molecular Dynamics? / 1：
An Example: Infrared Chemiluminescence / 2：
Why Molecular Dynamics? / 3：
A Simple Model of Energy Partitioning / 4：
The Need to Know / 5：
Dynamics of Molecular Collisions / Part 2：
Molecular Collisions and Free-Path Phenomena
Dynamics of Elastic Molecular Collisions
The Reaction Cross Section
The Reactions Probability
Scattering as a Probe of Collision Dynamics / Part 3：
Elastic Scattering as a Probe of the Interaction Potential
Intermolecular Potentials from Experiment and Theory
Angular Distribution In Direct Reactive Collisions
The Polyatomic Approach to Chemical Reactivity / Part 4：
Energy and Chemical Change
Three-Body Potential Energy Functions and Chemical Reactions
The Classical Trajectory Approach to Reaction Dynamics
From Microscopic Dynamics to Macroscopic Kinetics
The Practice of Molecular Reaction Dynamics / Part 5：
The Wish and the Realization
Molecules, Radiation and Laser Interactions
Molecular and Ion Beam Scattering
The Collisional Method
Surprisal
Quantum Dynamics / 6：
Molecular Energy Transfer / Part 6：
A Macroscopic Description of Energy Transfer
Simple Models of Energy Transfer
State-to-State Inelastic Collisions
Collisions of Molecules with Surfaces
Bimolecular Spectroscopy
Electronic Energy Transfer
Reaction Dynamics and Chemical Reactivity / Part 7：
A Case Study of an Elementary Reaction
Collision Complexes: Their Formation and Decay
Multiphoton Dissociation
Van der Waals Molecules and Clusters
Molecular Dynamics of Gas-Surface Reactions
Stereospecific Dynamics
The New Frontiers / 7：
Understanding Molecular Collisions / Part 1：
What is Molecular Dynamics? / 1：
An Example: Infrared Chemiluminescence / 2：
4.

図書
図書
4. Molecular hydrodynamics
Jean Pierre Boon, Sidney Yip
出版情報: New York ; London : McGraw-Hill, c1980  xvii, 417 p. ; 24cm
シリーズ名: Advanced book program
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5.

図書
図書
5. Molecular spectroscopy with neutrons
[by] Henri Boutin [and] Sidney Yip
出版情報: Cambridge, Mass. : M.I.T. Press, [1968]  xvii, 226 p ; 24 cm
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6.

図書
図書
6. Molecular collision dynamics (: us ; : gw)
edited by J.M. Bowman with contributions by M. Baer ... [et al.]
出版情報: Berlin ; Tokyo : Springer-Verlag, 1983  ix, 158 p. ; 25 cm
シリーズ名: Topics in current physics ; 33
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7.

図書
図書
7. Computer simulation methods in theoretical physics (: Germany ; : U.S.)
Dieter W. Heermann
出版情報: Berlin ; New York : Springer-Verlag, c1986  ix, 148 p. ; 24 cm
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8.

図書
図書
8. Dynamics of molecular crystals : proceedings of the 41st International Meeting of the Société française de chimie, division de chimie physique
jointly organised with Associazione italiana di chimica fisica, Deutsche Bunsen Gesellschaft für Physikalische Chemie, Royal Society of Chemistry, Faraday Division, Grenoble, 30 June-4 July 1986 ; edited by Jean Lascombe ; co-editors, S. Califano ... [et al.]
出版情報: Amsterdam ; Tokyo : Elsevier, 1987  xxvii, 727 p. ; 25 cm
シリーズ名: Studies in physical and theoretical chemistry ; v. 46
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9.

図書
図書
9. Potential energy hypersurfaces
Paul G. Mezey
出版情報: Amsterdam ; Tokyo : Elsevier, 1987  xv, 538 p. ; 25 cm
シリーズ名: Studies in physical and theoretical chemistry ; v. 53
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10.

図書
図書
10. Nonequilibrium vibrational kinetics (:gw ; :us)
edited by M. Capitelli
出版情報: Berlin ; New York : Springer-Verlag, c1986  xiv, 344 p. ; 25 cm
シリーズ名: Topics in current physics ; 39
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