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WIREs Comput Mol Sci
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Challenges in computational organic chemistry

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Despite tremendous progress over the past four decades, challenges remain in the field of computational organic chemistry. Challenges that are likely to be addressed in the near term include tackling the complexity of large configuration spaces, reactions where dynamic effects dictate product outcomes, design of enzymes to catalyze specific reactions, and the quest for a standard computational method. WIREs Comput Mol Sci 2014, 4:482–487.

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  • Structure and Mechanism > Reaction Mechanisms and Catalysis

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