Publication details
Quantum-chemical insight into mechanism of combined intra-intermolecular cycloaddition
| Authors | |
|---|---|
| Year of publication | 2004 |
| Type | Article in Periodical |
| Magazine / Source | Collection of Czechoslovak Chemical Communications |
| MU Faculty or unit | |
| Citation | |
| Field | Organic chemistry |
| Keywords | criss-cross cycloadditions; density functional theory; molecular modeling |
| Description | Two different reaction mechanism of a mixed criss-cross cycloaddition with opposite sequence of reaction steps, intra-intermolecular and inter-intramolecular, were explored by quantum-chemical calculations at the MP2 and B3LYP levels of theory and with cc-pVDZ basis set. |
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