Brennan T. Rose
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View article: CCDC 2131410: Experimental Crystal Structure Determination
CCDC 2131410: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Prediction of higher-selectivity catalysts by computer-driven workflow and machine learning
Prediction of higher-selectivity catalysts by computer-driven workflow and machine learning Open
Predicting catalyst selectivity Asymmetric catalysis is widely used in chemical research and manufacturing to access just one of two possible mirror-image products. Nonetheless, the process of tuning catalyst structure to optimize selectiv…