Computational Study of the Ro-Vibrational Spectrum of CO-CO2
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<p>We report an accurate intermolecular potential energy surface for CO-CO2. We compute and assign many ro-vibrational energies and wavefunctions For both isomers, the fundamental transition frequencies agree well with previous experimental results. The rotational constants also agree well with their experimental counterparts. Vibration along the out-of-plane coordinates is very floppy.<br></p>
2019 ◽
2018 ◽
Vol 20
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pp. 2036-2047
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2009 ◽
Vol 131
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pp. 154305
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2004 ◽
Vol 108
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pp. 1524-1530
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2001 ◽
Vol 3
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pp. 2400-2410
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2006 ◽
Vol 110
(49)
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pp. 13259-13263
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2012 ◽
Vol 34
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pp. 673-680
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