ChemPlusChem
Enhanced Host‐Guest Association and Fluorescence in Copolymers from Copper Salphen Complexes by Supramolecular Internalization of Anions
ChemPlusChem, Volume 88, Issue 3, March 2023.
ChemPlusChem
Synthesis, Cellular Uptake, and Photodynamic Activity of Oligogalactosyl Zinc(II) Phthalocyanines
ChemPlusChem, Volume 88, Issue 2, February 2023.
GAMaterial—A genetic‐algorithm software for material design and discovery
Journal of Computational Chemistry, Volume 44, Issue 7, Page 814-823, March 15, 2023.
System truncation accelerates binding affinity calculations with the fragment molecular orbital method: A benchmark study
Journal of Computational Chemistry, Volume 44, Issue 7, Page 824-831, March 15, 2023.
Synlett
Reaction Mechanisms for Chiral-Phosphate-Catalyzed Transformations Involving Cationic Intermediates and Protic Nucleophiles
Recent strategies for enantioinduction often focus on employing a chiral catalyst to noncovalently interact with the substrate. By restricting the number of low energy diastereomeric transition states the reacting components can adopt, stereoselectivity can be achieved. Many of these noncovalent interactions include a significant dispersive component and these types of contacts have historically been difficult to model accurately. Modern computational methods have been designed to overcome such limitations. Using our computational work on chiral phosphate catalysis, we discuss the reasons for enantioselectivity in diverse reaction space.1 Introduction2 Chiral Phosphate Catalysis3 Phosphate-Catalyzed Transfer Hydrogenation4 Phosphate-Catalyzed Aza-Friedel–Crafts Reaction5 Phosphate-Catalyzed Reactions Involving Allenamides6 Comprehensive Qualitative Models7 Chiral Phosphates and Thionium Intermediates8 Conclusion