Quasi-Classical Trajectory Study of Atom–Diatomic Molecule Collisions in Symmetric Hyperspherical Coordinates: The F + HCl Reaction as a Test Case

2016 ◽  
Vol 120 (13) ◽  
pp. 2059-2069
Author(s):  
Victor Manuel Freixas-Lemus ◽  
Aliezer Martínez-Mesa ◽  
Llinersy Uranga-Piña
Keyword(s):  
Diatomic Molecule ◽  
Classical Trajectory ◽  
Test Case ◽  
Hyperspherical Coordinates

Effects of The Vibrational and Rotational Energy on Reaction Cross- Section in a Classical Trajectory Study of Atom-Diatomic Molecule Collisions

2008 ◽  
Vol 63 (10-11) ◽  
pp. 721-734
Author(s):  
Hamzeh M. Abdel-Halim ◽  
Sawsan M. Jaafreh
Keyword(s):  
Quantum Number ◽  
Diatomic Molecule ◽  
Cross Section ◽  
Reaction Cross Section ◽  
Equations Of Motion ◽  
Rotational Quantum Number ◽  
Reaction Rates ◽  
Classical Trajectory ◽  
Reaction Cross ◽  
Rotational Energy

Effects of the initial vibrational and rotational energy of a diatomic molecule on reaction rates of atom-diatomic molecule reactions have been studied using classical trajectory calculations. The reaction probabilities, cross-sections and rate constants were calculated using the three-dimensional Monte-Carlo method. Equations of motion, which predict the positions and momenta of the colliding particles after each step in the trajectory, have been integrated numerically by the Runge-Kutta-Gill and Adams-Moulton methods. Morse potential energy surfaces were used to describe the interaction between the atom and each atom in the diatomic molecule. Several atom-diatomic molecule systems were studied. Variation of the reaction cross-section with both vibrational and rotational quantum numbers has been studied. For all systems studied, it was found that the cross-section increases with the vibrational quantum number. However, the effect of rotational quantum number on cross-section varies from one system to another. Results obtained in the present work were compared with experimental data and/or with results obtained theoretically. Good agreements were observed with experimental and with theoretical results obtained by other investigators using different calculation methods.

Collective hyperspherical coordinates for polyatomic molecules and clusters

2000 ◽  
Vol 98 (21) ◽  
pp. 1763-1770 ◽  
Author(s):  
Vincenzo Aquilanti, Andrea Beddoni, Simonett
Keyword(s):  
Polyatomic Molecules ◽  
Hyperspherical Coordinates

From Hard Money to Branch Banking

2016 ◽  
Vol 93 (1) ◽  
pp. 26-44
Author(s):  
Larry Schweikart ◽  
Lynne Pierson Doti
Keyword(s):  
West Coast ◽  
Financial Sector ◽  
Gold Rush ◽  
Test Case ◽  
The West ◽  
Branch Banking

In Gold Rush–era California, banking and the financial sector evolved in often distinctive ways because of the Gold Rush economy. More importantly, the abundance of gold on the West Coast provided an interesting test case for some of the critical economic arguments of the day, especially for those deriving from the descending—but still powerful—positions of the “hard money” Jacksonians.

Biblical Literacy and the English King James Liberal Bible

2014 ◽  
Vol 7 (2) ◽  
pp. 197-211
Author(s):  
James Crossley
Keyword(s):  
Cultural Heritage ◽  
Test Case ◽  
Biblical Literacy ◽  
The Public ◽  
Public Arena ◽  
The Bible ◽  
Liberal Capitalism ◽  
The Rich ◽  
Popular Nationalism ◽  
King James Bible

Using the 400th anniversary of the King James Bible as a test case, this article illustrates some of the important ways in which the Bible is understood and consumed and how it has continued to survive in an age of neoliberalism and postmodernity. It is clear that instant recognition of the Bible-as-artefact, multiple repackaging and pithy biblical phrases, combined with a popular nationalism, provide distinctive strands of this understanding and survival. It is also clear that the KJV is seen as a key part of a proud English cultural heritage and tied in with traditions of democracy and tolerance, despite having next to nothing to do with either. Anything potentially problematic for Western liberal discourse (e.g. calling outsiders “dogs,” smashing babies heads against rocks, Hades-fire for the rich, killing heretics, using the Bible to convert and colonize, etc.) is effectively removed, or even encouraged to be removed, from such discussions of the KJV and the Bible in the public arena. In other words, this is a decaffeinated Bible that has been colonized by, and has adapted to, Western liberal capitalism.

TEST-CASE NO 16: IMPACT OF A DROP ON A THIN FILM OF THE SAME LIQUID (PE, PA)

2004 ◽  
Vol 16 (1-3) ◽  
pp. 105-109
Author(s):  
F. Pigeonneau ◽  
Francois Feuillebois
Keyword(s):  
Thin Film ◽  
Test Case

TEST-CASE NO 15: PHASE INVERSION IN A CLOSED BOX (PC)

2004 ◽  
Vol 16 (1-3) ◽  
pp. 101-104 ◽  
Author(s):  
S. Vincent ◽  
J.-P. Caltagirone ◽  
D. Jamet
Keyword(s):  
Phase Inversion ◽  
Test Case
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