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An ab initio SCF MO study of the molecular structure and properties of the hydrogen-bonded dimers of ethyne and ethene with HF and HCl

✍ Scribed by Alan Hinchliffe

Publisher: Elsevier Science
Year: 1982
Tongue: English
Weight: 175 KB
Volume: 85
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(82)80352-7

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✦ Synopsis

Large-scale f-lussn~ orbxd SCT MO calculations xe prc.cntcd for rhc t11lc molcculc> C&xd.ncd rqudlbrmm bcomc-LIICS, hydrogen-bond dlssoclarron encrg~cs. and on~vlccrron propcrncs are gwcn LO supplement c\pcnmcnml dam ior C2H: HCI Chanbcs oi clecrron dlsrnburlon on cornpIe\ torm~non arc dlscusscd rn ~crms of Mulhkn popubt~on IndIces

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