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Finding Reaction Pathways of Type A + B → X: Toward Systematic Prediction of Reaction Mechanisms

✍ Scribed by Maeda, Satoshi; Morokuma, Keiji

Book ID
119978701
Publisher
American Chemical Society
Year
2011
Tongue
English
Weight
253 KB
Volume
7
Category
Article
ISSN
1549-9618

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## Abstract The development and application of ACE, a program that predicts the stereochemical outcome of asymmetric reactions is presented. As major implementations, ACE includes a genetic algorithm to carry out an efficient global conformational search combined with a conjugate gradient minimizat