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An ab initio investigation of the potential function and rotation–vibration energies of NH 3

✍ Scribed by Bunker, P. R.; Kraemer, W. P.; Špirko, V.


Book ID
119994804
Publisher
NRC Research Press
Year
1984
Tongue
English
Weight
243 KB
Volume
62
Category
Article
ISSN
0008-4204

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For the % 'B,, g 'A, and 6 ' B, electronic states of the NH,+ molecular ion we have calculated ab initio points on the potential energy surfaces using a complete second-order configuration interaction calculation for the six valence electrons. For the % and fi states the rotation-vibration energies