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A molecular orbital comparison of the asymmetric and symmetric nitric oxide dimers

โœ Scribed by Mark A. Benzel; Clifford E. Dykstra; Mark A. Vincent

Publisher
Elsevier Science
Year
1981
Tongue
English
Weight
361 KB
Volume
78
Category
Article
ISSN
0009-2614

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โœฆ Synopsis

I\b mnto SCF calculations with double-zeta (DZ) and dorlble-zet'l plus polaruatton (DZ+P) bssls sets haoe been performed on the as? mmetrtc and s) mmetrlc mtrtc outde dtmers The recently detected asymmetrtc form IS predtcted to east m a plsnsr trrrnsotd trIplet ground state. ahlch IS qutre dtfferent from the nature of the ground electrontc state of the symmetric form

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