Singlet-triplet splittings and barriers to Wolff rearrangement for carbonyl carbenes
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Scott, Anthony; Platz, M; Radom, Leo
Description
High-level ab initio calculations at the G3(MP2)//B3-LYP level have been used to study carbomethoxychlorocarbene and related halogenocarbenes and carbonyl carbenes. Initial calculations at the more accurate W1′ level on the subset CH2, HCCl, HCF, CCl2,
| Collections | ANU Research Publications |
|---|---|
| Date published: | 2001 |
| Type: | Journal article |
| URI: | http://hdl.handle.net/1885/92754 |
| Source: | Journal of the American Chemical Society |
| DOI: | 10.1021/ja004236e |
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| File | Description | Size | Format | Image |
|---|---|---|---|---|
| 01_Scott_Singlet-triplet_splittings_and_2001.pdf | 85.27 kB | Adobe PDF | Request a copy |
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