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
Dissociation potential for breaking a CH bond in methane
✍ Scribed by Franklin B. Brown; Donald G. Truhlar
- Publisher
- Elsevier Science
- Year
- 1985
- Tongue
- English
- Weight
- 489 KB
- Volume
- 113
- Category
- Article
- ISSN
- 0009-2614
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