A modified potential for HO2 with spectroscopic accuracy

Seven ground state potential energy surfaces for the hydroperoxyl radical are compared. The potentials were determined from either high-quality ab initio calculations, fits to spectroscopic data, or a combination of the two approaches. Vibration-rotation calculations are performed on each potential...

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Bibliographic Details
Main Author: Rio, Carolina (author)
Other Authors: Tennyson, Jonathan (author), Brandão, J. (author)
Format: article
Language:eng
Published: 2015
Subjects:
Online Access:http://hdl.handle.net/10400.1/6662
Country:Portugal
Oai:oai:sapientia.ualg.pt:10400.1/6662