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On the possibility of observation and the intensity of (nn′) and (nn) transitions between exciton states in Cu2O

✍ Scribed by S. Nikitine

Publisher
Elsevier Science
Year
1984
Tongue
English
Weight
633 KB
Volume
45
Category
Article
ISSN
0022-3697

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The bonding nature of the N-N bonds in 1,2,5-trinitroimidazole I and Ž . 1,2,4,5-tetranitroimidazole II was examined with various levels of ab initio and density Ž . Ž . functional DF theories. The second-order Møller᎐Plesset perturbation method MP2 with the 6-31G\*\* basis set has predicted signifi