The first five-membered-heterocycle-fused subphthalocyanine analogues: chiral tri(benzo[b]thiopheno)subporphyrazines.

Nature of the intense second-order nonlinear optical activity: DFT studies on the octupolarization of sandwich-type bis(phthalocyaninato) yttrium skeletons.

Four dibutylamino substituents are better than eight in modulating the electronic structure and third-Order nonlinear-Optical properties of phthalocyanines.

Porphyrin–Alkaline earth MOFs with the highest adsorption capacity for methylene blue.

Sandwich rare earth complexes simultaneously involving aromatic phthalocyanine and antiaromatic hemiporphyrazine ligands showing a predominantly aromatic nature.

Mixed phthalocyanine-porphyrin-based conjugated microporous polymers towards unveiling the activity origin of Fe–N4 catalysts for the oxygen reduction reaction.

An ethynyl-linked Fe/Co heterometallic phthalocyanine conjugated polymer for the oxygen reduction reaction.

Towards developing efficient aminopyridine-based electrochemical catalysts for CO2 reduction: a density functional theory study.

基于含时密度泛函理论的分子基太阳能电池材料设计软件TD-Analy.

基于耦合微扰密度泛函理论的分子基非线性光学材料设计软件NLO-Calculator.