期刊
JOURNAL OF ORGANIC CHEMISTRY
卷 75, 期 6, 页码 2115-2118出版社
AMER CHEMICAL SOC
DOI: 10.1021/jo100033d
关键词
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资金
- NIH-FIRCA [TW007177]
- National Institute of General Medical Sciences
- National Institutes of Health [GM 36700]
- Alexander von Humboldt Foundation for a Feodor Lynen Fellowship
- TUBITAK-ULAKBIM High Performance Computing Center
- National Center for High Performance Computing in Turkey (UYBHM) [20532009]
- Bogazici Universitesi Bilimsel Arastirma Projeleri (BAP)
The origins of the boat transition state preference in the Ireland-Claisen rearrangements Studied experimentally by Kishi and co-workers have been explored computationally with Density Functional Theory. Steric interactions in the chair transition states were identified as the principal reason for the boat transition state preference.
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