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Potential energy curves and bond dissociation energy of Yi

โœ Scribed by R.R. Reddy; T.V.R. Rao


Publisher
Elsevier Science
Year
1982
Tongue
English
Weight
286 KB
Volume
90
Category
Article
ISSN
0022-2860

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Ab initio potential energy curve for CH
โœ Ronald J. Duchovic; William L. Hase; H. Bernhard Schlegel; Michael J. Frisch; Kr ๐Ÿ“‚ Article ๐Ÿ“… 1982 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 532 KB

Ab mltio calcuhl~ons on CH4 -CHI + H were periormed at the MP4/6-3lC\*' level mcludmg all single. double trlplc and qusdruplc ekclrxtions Although triple e\atallons have httle cficct on the dissociation energy. they are very important m the 2-3 A range. The polentlal curve appears 10 IIS~ more shxpl