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Record Details

Record 33 of 3770
Rotational Energy Transfer of N2 Determined Using a New Ab Initio Potential Energy Surface
Author and Affiliation:
Huo, Winifred M.(NASA Ames Research Center, Moffett Field, CA United States)
Stallcop, James R.(NASA Ames Research Center, Moffett Field, CA United States)
Partridge, Harry(NASA Ames Research Center, Moffett Field, CA United States)
Langhoff, Stephen R. [Technical Monitor]
Abstract: A new N2-N2 rigid-rotor surface has been determined using extensive Ab Initio quantum chemistry calculations together with recent experimental data for the second virial coefficient. Rotational energy transfer is studied using the new potential energy surface (PES) employing the close coupling method below 200 cm(exp -1) and coupled state approximation above that. Comparing with a previous calculation based on the PES of van der Avoird et al.,3 it is found that the new PES generally gives larger cross sections for large (delta)J transitions, but for small (delta)J transitions the cross sections are either comparable or smaller. Correlation between the differences in the cross sections and the two PES will be attempted. The computed cross sections will also be compared with available experimental data.
Publication Date: Jan 01, 1997
Document ID:
20020042316
(Acquired May 10, 2002)
Subject Category: INORGANIC, ORGANIC AND PHYSICAL CHEMISTRY
Document Type: Preprint
Meeting Information: American Physical Society Meeting; 18-21 Apr. 1997; Washington, DC; United States
Meeting Sponsor: American Physical Society; United States
Contract/Grant/Task Num: RTOP 242-80-01
Financial Sponsor: NASA Ames Research Center; Moffett Field, CA United States
Organization Source: NASA Ames Research Center; Moffett Field, CA United States
Description: 1p; In English
Distribution Limits: Unclassified; Publicly available; Unlimited
Rights: No Copyright
NASA Terms: ENERGY TRANSFER; NITROGEN; POTENTIAL ENERGY; QUANTUM CHEMISTRY; RIGID ROTORS; CROSS SECTIONS
Availability Source: Other Sources
Availability Notes: Abstract Only
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