Quasi-Classical Trajectory Dynamics Study of the Cl(2P) + C2H6 → HCl(v,j) + C2H5 Reaction. Comparison with Experiment

2018 ◽  
Vol 122 (10) ◽  
pp. 2626-2633 ◽  
Author(s):  
Joaquin Espinosa-Garcia ◽  
Emilio Martinez-Nuñez ◽  
Cipriano Rangel
Keyword(s):  
Classical Trajectory ◽  
Comparison With Experiment ◽  
Trajectory Dynamics

Quasi-Classical Trajectory Dynamics Study on the Reaction of H with HO2

2009 ◽  
Vol 82 (8) ◽  
pp. 953-962 ◽  
Author(s):  
Seyed Hosein Mousavipour ◽  
Issa Yousefiasl
Keyword(s):  
Classical Trajectory ◽  
Trajectory Dynamics

Convergence Properties of Quasiclassical Trajectory Calculations on Dynamics of Autoionization Event in He(23S)-D2 Penning Ionization

1997 ◽  
Vol 62 (2) ◽  
pp. 154-171 ◽  
Author(s):  
Jan Vojtík ◽  
Richard Kotal
Keyword(s):  
Branching Ratios ◽  
Classical Trajectory ◽  
Vibrational States ◽  
Penning Ionization ◽  
Trajectory Calculations ◽  
Quantum Mechanical Treatment ◽  
Total Ionization ◽  
Vibrational Levels ◽  
Degree Of Convergence ◽  
Product Branching

An analysis of the degree of convergence of theoretical pictures of the dynamics of the autoionization event He(23S)-D2(v" = 0) -> [He...D2+(v')] + e is presented for a number of batches of Monte Carlo calculations differing in the number of the trajectories run. The treatment of the dynamics consists in 2D classical trajectory calculations based on static characteristics which include a quantum mechanical treatment of the perturbed D2(v" = 0) and D2+(v') vibrational motion. The vibrational populations are dynamical averages over the local widths of the He(23S)-D2(v" = 0) state with respect to autoionization to D2+(...He) in its v'th vibrational level and the Penning electron energies are related to the local differences between the energies of the corresponding perturbed D2(v" = 0)(...He*) and D2+(v')(...He) vibrational states. Special attention is paid to the connection between the requirements on the degree of convergence of the classical trajectory picture of the event and the purpose of the calculations. Information is obtained regarding a scale of the trajectory calculations required for physically sensible applications of the model to an interpretation of different type of experiments on the system: total ionization cross section measurements, Penning ionization electron spectra, subsequent 3D classical trajectory calculations of branching ratios of the products of the postionization collision process, and interpretation of electron ion coincidence measurements of the product branching ratios for individual vibrational levels of the nascent Penning ion.

Classical Trajectory Analysis of the Reaction F+H2→HF+H

1971 ◽  
Vol 54 (5) ◽  
pp. 2224-2236 ◽  
Author(s):  
Richard L. Jaffe ◽  
James B. Anderson
Keyword(s):  
Trajectory Analysis ◽  
Classical Trajectory

SPALLATION YIELDS FROM HIGH ENERGY PROTON BOMBARDMENT OF HEAVY ELEMENTS

1957 ◽  
Vol 35 (1) ◽  
pp. 21-37 ◽  
Author(s):  
J. D. Jackson
Keyword(s):  
Cross Sections ◽  
High Energy ◽  
Heavy Elements ◽  
Collective Effects ◽  
Comparison With Experiment ◽  
Energy Proton ◽  
Stringent Test ◽  
Neutron Evaporation ◽  
Nuclear Processes ◽  
Mev Protons

The Monte Carlo calculations of McManus and Sharp (unpublished) for the prompt nuclear processes occurring upon bombardment of heavy elements by 400 Mev. protons are combined with a description of the subsequent neutron evaporation to determine spallation cross sections for comparison with experiment. The model employed is a schematic one which suppresses the detailed characteristics of individual nuclei, but gives the over-all behavior to be expected. Many-particle and collective effects such as alpha particle emission and fission are ignored. The computed cross sections are presented in a variety of different graphical forms which illustrate quantitatively the qualitative picture of high energy reactions first given by Serber (1947). The calculations are in general agreement with existing data when fission is not an important effect, but the agreement does not imply a very stringent test of the various features of the model.

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