期刊
CHEMISTRY-AN ASIAN JOURNAL
卷 9, 期 3, 页码 674-680出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/asia.201301452
关键词
computational chemistry; quantum chemistry; reaction design; structure elucidation; total synthesis
资金
- US National Science Foundation [CHE-0449845, CHE-0957416, CHE030089]
- Direct For Mathematical & Physical Scien [1361807] Funding Source: National Science Foundation
- Division Of Chemistry [1361807] Funding Source: National Science Foundation
This account discusses representative case studies for various applications of quantum chemical calculations in synthetic organic chemistry. These include confirmation of target structures, methodology development, and catalyst design. These examples demonstrate how predictions from quantum chemical calculations can be utilized to streamline synthetic efforts.
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