期刊
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
卷 131, 期 2, 页码 410-+出版社
AMER CHEMICAL SOC
DOI: 10.1021/ja806246h
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资金
- Procter & Gamble Pharmaceuticals
- University of Notre Dame
- Direct For Mathematical & Physical Scien
- Division Of Chemistry [0833220] Funding Source: National Science Foundation
Using the Q2MM method, new molecular mechanics parameters were developed to perform initial screening of a chiral library to focus the experimental screening for the rhodium catalyzed hydrogenation of enamides. Computational predictions agree very well with experimental data.
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