Complementary C–H Functionalization Mode of Benzoylacetonitriles: Computer-Augmented Study of a Regio- and Stereoselective Synthesis of Functionalized Benzofulvenes

Organic Letters

Multiscale Optimal Design and Fabrication of Laminated Composites
Composite Structures

Quantitative Design of Bright Fluorophores and AIEgens via the Accurate Prediction of Twisted Intramolecular Charge Transfer (TICT)
Angewandte Chemie International Edition

SUTD Author: Bao Nguyen Do Doan and Richmond Lee

“Density functional theory (DFT) and experiments unravel the chemistry of Rh(III) catalysed 5-membered ring cyclization, in a departure from reported 6-membered ring closure, to form useful benzofulvenes. DFT also suggested the importance of hydroxyl group and CsOAc in mediating the regioselective 5-membered ring cyclization by forming thermodynamically stable Rh(III) intermediate.” ---Richmond Lee

SUTD Author: Narasimha Boddeti, David W.Rosen, and Martin L. Dunn

“We present a general workflow for optimal design and fabrication of novel multiscale laminated fiber-based composites with spatially varying microstructure in each lamina of a flat or curved laminate. The framework is experimentally validated with various plate and shell structures that have potential applications in architecture, aerospace and soft robotics.”--- David W.Rosen

SUTD Author: Chao Wang, Weijie Chi, Davin Tan and Xiaogang Liu

“We established a reliable and generalizable computational approach for modeling Twisted Intramolecular Charge Transfer (TICT), one important photophysical mechanism. Based on this approach, we concluded a two‐decade‐long mechanistic debate on the TICT formation in PRODAN, and quantitatively designed bright fluorophores and AIEgens for bioimaging applications.”---Xiaogang Liu