PolyU Institutional Repository >
Applied Biology and Chemical Technology >
ABCT Journal/Magazine Articles >
Please use this identifier to cite or link to this item:
|Title: ||The NO(X²II) –Ne complex. II. investigation of the lower bound states based on new potential energy surfaces|
|Authors: ||Alexander, Millard H.|
Wright, Timothy G.
Dagdigian, Paul J.
Lee, Edmond P. F.
|Subjects: ||Nitrogen compounds|
Potential energy surfaces
|Issue Date: ||1-Apr-2001 |
|Publisher: ||American Institute of Physics|
|Citation: ||Journal of chemical physics, 1 Apr. 2001, v. 114, no. 13, p. 5588-5597.|
|Abstract: ||High-quality ab initio potential energy surfaces were calculated and subsequently used to predict the positions of the lowest bend-stretch vibrational states of the NO(X²II,v=0)–Ne complex. The vibrational wavefunctions and basis set expansion coefficients, determined within the adiabatic
bender model, were then used to simulate the observed spectrum for excitation of the
NO(X²II, v=2)–Ne complex. The overall position and rotational substructure matches well the experimental results for this system, which are presented in the preceding article [Y. Kim, J. Fleniken and H. Meyer, J. Chem. Phys. 114, 5577 (2001)]. A heuristic Hamiltonian, which includes
the most important couplings and splittings, is used to improve the fit to experiment.|
|Description: ||DOI: 10.1063/1.1349086|
|Rights: ||© 2001 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in M. H. Alexander et al., J. Chem. Phys. 114, 5588 (2001) and may be found at http://link.aip.org/link/?jcp/114/5588.|
|Type: ||Journal/Magazine Article|
|ISSN: ||0021-9606 (print) |
|Appears in Collections:||ABCT Journal/Magazine Articles|
All items in the PolyU Institutional Repository are protected by copyright, with all rights reserved, unless otherwise indicated.
No item in the PolyU IR may be reproduced for commercial or resale purposes.