6533b85afe1ef96bd12b9f68
RESEARCH PRODUCT
A theoretical study of the rotational structure of the ϵ(0,0) band of NO
Inmaculada MartinM. V. VegaC. LavínAna VelascoJ. Pitarch-ruizJosé Sánchez-marínsubject
Vacuum ultravioletQuantum defectChemistryStructure (category theory)MoleculePhysical and Theoretical ChemistryAtomic physicsAbsorption (chemistry)Condensed Matter PhysicsQuantumAtomic and Molecular Physics and OpticsMolecular electronic transitiondescription
This study has been focused on the ϵ(0,0) band of the nitric oxide molecule, associated with the absorption electronic transition D2Σ+X 2Π, in the energetic vacuum ultraviolet region. A temperature of 295 K has been considered. The Molecular Quantum Defect Orbital (MQDO) methodology, with which reliable spectroscopic data have been reached in the γ(0,0), δ(0,0), and δ(1,0) bands of the same molecule, has also been used for these calculations. We hope that the present results might be of straightforward use in atmospheric and interstellar chemistry. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2010
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2009-06-15 | International Journal of Quantum Chemistry |