Ab initio study of the mechanisms of intermolecular and intramolecular [4+2] cycloaddition reactions of conjugated enynes Full article
| Journal |
Journal of Physical Organic Chemistry
ISSN: 0894-3230 , E-ISSN: 1099-1395 |
||
|---|---|---|---|
| Output data | Year: 2001, Volume: 14, Number: 2, Pages: 109-121 Pages count : 13 DOI: 10.1002/1099-1395(200102)14:2<109::aid-poc344>3.0.co;2-j | ||
| Authors |
|
||
| Affiliations |
|
Abstract:
The mechanisms of intermolecular and intramolecular enyne [4 + 2] cycloaddition reactions were investigated in detail using high-level ab initio methods. The structures of all transition states and intermediates were located using the MP2 method, potential energy surfaces were calculated at the MP2, MP3, MP4(SDQ), MP4(SDTQ), CCSD and CCSD(T) theory levels and the solvent effect was studied within PCM model.
Cite:
Ananikov V.P.
Ab initio study of the mechanisms of intermolecular and intramolecular [4+2] cycloaddition reactions of conjugated enynes
Journal of Physical Organic Chemistry. 2001. V.14. N2. P.109-121. DOI: 10.1002/1099-1395(200102)14:2<109::aid-poc344>3.0.co;2-j Scopus OpenAlex
Ab initio study of the mechanisms of intermolecular and intramolecular [4+2] cycloaddition reactions of conjugated enynes
Journal of Physical Organic Chemistry. 2001. V.14. N2. P.109-121. DOI: 10.1002/1099-1395(200102)14:2<109::aid-poc344>3.0.co;2-j Scopus OpenAlex
Identifiers:
| Scopus: | 2-s2.0-0001563239 |
| OpenAlex: | W2049198159 |