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The electronic structure of the BrF3 and BrF5 molecules

โœ Scribed by G.L Gutzev; A.E. Smolyar

Publisher
Elsevier Science
Year
1980
Tongue
English
Weight
291 KB
Volume
71
Category
Article
ISSN
0009-2614

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โœฆ Synopsis

m final form 9 Notember 1979 lontzatton potenttats of the BrFs and BrFs molecules have been calculated by the SCF DV XCK method. The caiculattons hare been carrted out tn numertwl Hartree-Fock basts sets, or, to be more spectftc. m bases that are extenstons of these bases smce "mutual" bromine Id-functtons are added to the numertcal HF bases The results are used for the mterpretatton of the e\pertmrntal PES of these compounds

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