| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5416874 | Journal of Molecular Structure: THEOCHEM | 2010 | 6 Pages |
Abstract
Ab initio and DFT calculations of thermodynamic and kinetic parameters for ring-closing reactions of bi-functional entities to form three-membered (1-11), four-membered (12-14), five-membered (15-28) and six-membered rings (29-31) reveal that the increase in demands on directional flexibility upon reducing the size of the ring, and the directional requirements of the nucleophilic orbitals have a profound effect on the rate of ring-closing reaction.
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Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Rafik Karaman,