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Peculiarities in the structure and origin of localized states responsible for the photoelectret state in AVBVII3-type layer crystals

✍ Scribed by Bercha, D. M. ;Kikineshi, A. A. ;Semak, D. G. ;Chepur, D. V.


Publisher
John Wiley and Sons
Year
1971
Tongue
English
Weight
362 KB
Volume
7
Category
Article
ISSN
0031-8965

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Summarv : The transition state structures for addition of LiH to 1, 2, and 3 are computed and analyzed at MP2/6-3lG(d)//HF/6\_3lG(d). Three factors are found to be important for the relative energies of the transition state structures: (i) the conformational energy of the aldehyde; (ii) the interac