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1

Janev, Ratko K. Elementary Processes in Hydrogen-Helium Plasmas: Cross Sections and Reaction Rate Coefficients. Berlin, Heidelberg: Springer Berlin Heidelberg, 1987.

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2

Cucinotta, Francis A. Energy-loss cross sections for inclusive charge-exchange reactions at intermediate energies. Hampton, Va: Langley Research Center, 1993.

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3

Maung, Khin Maung. Radiation transport and shielding for space exploration and high speed flight transportation: Final report on NAG1-1789. [Washington, DC: National Aeronautics and Space Administration, 1997.

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4

1939-, Janev R. K., ed. Elementary processes in hydrogen-helium plasmas: Cross sections and reaction rate coefficients. Berlin: Springer-Verlag, 1987.

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5

Henriksen, Niels E., and Flemming Y. Hansen. Theories of Molecular Reaction Dynamics. Oxford University Press, 2018. http://dx.doi.org/10.1093/oso/9780198805014.001.0001.

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This book deals with a central topic at the interface of chemistry and physics—the understanding of how the transformation of matter takes place at the atomic level. Building on the laws of physics, the book focuses on the theoretical framework for predicting the outcome of chemical reactions. The style is highly systematic with attention to basic concepts and clarity of presentation. Molecular reaction dynamics is about the detailed atomic-level description of chemical reactions. Based on quantum mechanics and statistical mechanics or, as an approximation, classical mechanics, the dynamics of uni- and bimolecular elementary reactions are described. The first part of the book is on gas-phase dynamics and it features a detailed presentation of reaction cross-sections and their relation to a quasi-classical as well as a quantum mechanical description of the reaction dynamics on a potential energy surface. Direct approaches to the calculation of the rate constant that bypasses the detailed state-to-state reaction cross-sections are presented, including transition-state theory, which plays an important role in practice. The second part gives a comprehensive discussion of basic theories of reaction dynamics in condensed phases, including Kramers and Grote–Hynes theory for dynamical solvent effects. Examples and end-of-chapter problems are included in order to illustrate the theory and its connection to chemical problems. The book has ten appendices with useful details, for example, on adiabatic and non-adiabatic electron-nuclear dynamics, statistical mechanics including the Boltzmann distribution, quantum mechanics, stochastic dynamics and various coordinate transformations including normal-mode and Jacobi coordinates.
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6

Henriksen, Niels Engholm, and Flemming Yssing Hansen. Bimolecular Reactions, Dynamics of Collisions. Oxford University Press, 2018. http://dx.doi.org/10.1093/oso/9780198805014.003.0004.

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This chapter discusses the dynamics of bimolecular collisions within the framework of (quasi-)classical mechanics as well as quantum mechanics. The relation between the cross-section and the reaction probability, which can be calculated theoretically from a (quasi-)classical or quantum mechanical description of the collision, is described in terms of classical trajectories and wave packets, respectively. As an introduction to reactive scattering, classical two-body scattering is described and used to formulate simple models for chemical reactions, based on reasonable assumptions for the reaction probability. Three-body (and many-body) quasi-classical scattering is formulated and the numerical evaluation of the reaction probability is described. The relation between scattering angles and differential cross-sections in various frames is emphasized. The chapter concludes with a brief description of non-adiabatic dynamics, that is, situations beyond the Born–Oppenheimer approximation where more than one electronic state is in play. A discussion of the so-called Landau–Zener model is included.
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7

Janev, R. K., W. D. Langer, K. Jr Evans, and D. E. Post. Elementary Processes in Hydrogen-Helium Plasmas: Cross Sections and Reaction Rate Coefficients (Springer Series on Atoms & Plasmas, Vol 4). Springer-Verlag, 1987.

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8

Henriksen, Niels Engholm, and Flemming Yssing Hansen. From Microscopic to Macroscopic Descriptions. Oxford University Press, 2018. http://dx.doi.org/10.1093/oso/9780198805014.003.0002.

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This chapter discusses bimolecular reactions from both a microscopic and macroscopic point of view. The outcome of an isolated reactive scattering event can be specified in terms of an intrinsic fundamental quantity, the reaction cross-section that can be measured in a molecular beam experiment. It depends on the quantum states of the molecules as well as the relative velocity of reactants and products. The relation between the cross-section and the macroscopic rate constant is derived. The rate constant is a weighted average of the product between the relative speed of the reactants and the reaction cross-section. The chapter concludes with the special case of thermal equilibrium, where the velocity distributions for the molecules are the Maxwell–Boltzmann distribution. The expression for the rate constant at temperature T is reduced to a one-dimensional integral over the relative speed of the reactants.
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9

M, Wagner, ed. Evaluation of cross sections for 14 important neutron-dosimetry reactions. Eggenstein-Leopoldshafen: Fachinformationszentrum Karlsruhe, 1990.

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10

Henriksen, Niels Engholm, and Flemming Yssing Hansen. Rate Constants, Reactive Flux. Oxford University Press, 2018. http://dx.doi.org/10.1093/oso/9780198805014.003.0005.

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This chapter discusses a direct approach to the calculation of the rate constant k(T) that bypasses the detailed state-to-state reaction cross-sections. The method is based on the calculation of the reactive flux across a dividing surface on the potential energy surface. Versions based on classical as well as quantum mechanics are described. The classical version and its relation to Wigner’s variational theorem and recrossings of the dividing surface is discussed. Neglecting recrossings, an approximate result based on the calculation of the classical one-way flux from reactants to products is considered. Recrossings can subsequently be included via a transmission coefficient. An alternative exact expression is formulated based on a canonical average of the flux time-correlation function. It concludes with the quantum mechanical definition of the flux operator and the derivation of a relation between the rate constant and a flux correlation function.
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11

W, Townsend Lawrence, Dubey Rajendra R, and United States. National Aeronautics and Space Administration. Scientific and Technical Information Program., eds. Energy-loss cross sections for inclusive charge-exchange reactions at intermediate energies. [Washington, DC]: National Aeronautics and Space Administration, Office of Management, Scientific and Technical Information Program, 1993.

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12

W, Townsend Lawrence, Dubey Rajendra R, and United States. National Aeronautics and Space Administration. Scientific and Technical Information Program., eds. Energy-loss cross sections for inclusive charge-exchange reactions at intermediate energies. [Washington, DC]: National Aeronautics and Space Administration, Office of Management, Scientific and Technical Information Program, 1993.

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13

W, Townsend Lawrence, Dubey Rajendra R, and United States. National Aeronautics and Space Administration. Scientific and Technical Information Program., eds. Energy-loss cross sections for inclusive charge-exchange reactions at intermediate energies. [Washington, DC]: National Aeronautics and Space Administration, Office of Management, Scientific and Technical Information Program, 1993.

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14

Energy-loss cross sections for inclusive charge-exchange reactions at intermediate energies. [Washington, DC]: National Aeronautics and Space Administration, Office of Management, Scientific and Technical Information Program, 1993.

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15

Betts, Curt M. Numerical techniques for coupled neutronic/thermal hydraulic nuclear reactor calculations. 1994.

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16

M, Greene N., Oak Ridge National Laboratory, and U.S. Nuclear Regulatory Commission. Division of Systems Analysis and Regulatory Effectiveness., eds. POLIDENT, a module for generating continuous-energy cross sections from ENDF resonance data. Washington, DC: U.S. Nuclear Regulatory Commission, 2000.

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17

Agency, International Atomic Energy, ed. Handbook on nuclear activation data. Vienna: International Atomic Energy Agency, 1987.

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18

United States. National Aeronautics and Space Administration., ed. Photodissociation cross sections for the production of C₂ from C₂H using laser induced Hg photosensitization and tunable ultraviolet and visible lasers. [Washington, DC: National Aeronautics and Space Administration, 1996.

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19

Campbell, John, Joey Huston, and Frank Krauss. QCD at Fixed Order: Processes. Oxford University Press, 2018. http://dx.doi.org/10.1093/oso/9780199652747.003.0004.

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At the core of any theoretical description of hadron collider physics is a fixed-order perturbative treatment of a hard scattering process. This chapter is devoted to a survey of fixed-order predictions for a wide range of Standard Model processes. These range from high cross-section processes such as jet production to much more elusive reactions, such as the production of Higgs bosons. Process by process, these sections illustrate how the techniques developed in Chapter 3 are applied to more complex final states and provide a summary of the fixed-order state-of-the-art. In each case, key theoretical predictions and ideas are identified that will be the subject of a detailed comparison with data in Chapters 8 and 9.
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20

Billing, Gert D., ed. The Quantum Classical Theory. Oxford University Press, 2003. http://dx.doi.org/10.1093/oso/9780195146196.001.0001.

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Over a period of fifty years, the quantum-classical or semi-classical theories have been among the most popular for calculations of rates and cross sections for many dynamical processes: energy transfer, chemical reactions, photodissociation, surface dynamics, reactions in clusters and solutions, etc. These processes are important in the simulation of kinetics of processes in plasma chemistry, chemical reactors, chemical or gas lasers, atmospheric and interstellar chemistry, as well as various industrial processes. This book gives an overview of quantum-classical methods that are currently used for a theoretical description of these molecular processes. It gives the theoretical background for the derivation of the theories from first principles. Enough details are provided to allow numerical implementation of the methods. The book gives the necessary background for understanding the approximations behind the methods and the working schemes for treating energy transfer processes from diatomic to polyatomic molecules, reactions at surfaces, non-adiabatic processes, and chemical reactions.
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21

Parameterized spectral distributions for meson production in proton-proton collisions. [Washington, DC]: NASA, 1995.

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