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Ab initio calculations of the inversion transitions of cyanamide

✍ Scribed by A. Daoudi; C. Pouchan; H. Sauvaitre

Publisher
Elsevier Science
Year
1982
Tongue
English
Weight
480 KB
Volume
91
Category
Article
ISSN
0009-2614

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✦ Synopsis

Rccewed I' July 1982 Ab lnltl0 GIkuhllOrIs of tbc InvcrsIon irans1llons ol'lhc cydnanudc molcculc ac carred out lo nlcubrc mvcrslon Ircqucn-CICS. Usmg a polanzcd double-zeta bars set and 3 double-mmlmum potcntnl functron of the supcrposcd gaussran and harmoruc oscdlalor lypc, these J prrorr calcuhtions led to a correct dnalys~s and mtcrprelatlon of ~IIC mfrxcd spccIroscop~c dafa.

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