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Structures and electronic states of the H2Bo and H2CN radicals

โœ Scribed by S.P. So


Publisher
Elsevier Science
Year
1981
Tongue
English
Weight
286 KB
Volume
82
Category
Article
ISSN
0009-2614

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๐Ÿ“œ SIMILAR VOLUMES


The low-lying electronic states of H2CN+
โœ J.R. Flores; J. Largo-Cabrerizo ๐Ÿ“‚ Article ๐Ÿ“… 1987 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 393 KB

Ab initio molecular-orbital calculations have been carried out on the low-lying triplet and singlet electronic states of the H&N+ cation, at the SCF and Moller-Plesset levels of theory. Both triplet 'AZ and 3BZ electronic states have similar energies. The barriers to isomerization to the 'A" and 'A'