Applications
This page lists some recent applications of Qbics in chemical, biological, and materials problems.
2024
Mater. Today Chem. 2024, 36, 101980 In these 3 papers, Qbics was applied to calculate wavefunctions of some passivators used in the treatment of inverted CsPbI2Br perovskite surface. The wavefunctions were used to do electrostatic potential (ESP) analysis. Click ESP to see how to combine Qbics and Multiwfn to do ESP analysis.
2023
Nat. Plants 2023, 9, 1547 This paper reveals the allosteric regulation mechanism of the major light-harvesting complex of photosystem II (LHCII). Qbics uses TSO-DFT to calculate the coupling between 2 excited states of LHCII core and this coupling is in highly agreement with the experimentally-measured fluorescence decay rate!