A team from Jiuhua Laboratory in China has developed a novel "Electronic Structure-Infused Network (ESIN)" model that ...

In the case of a tin–phthalocyanine complex, the metal ion protrudes out of the molecular plane by less ... electrons or holes into the molecular orbitals of the complex with the STM tip.

Unsubstituted π-electronic systems with expanded π-planes are highly desirable for improving charge-carrier transport in ...

Oxygenases have long been thought to require a cofactor for catalysis. The structure of a vancomycin biosynthetic enzyme in complex with a substrate analog, and with molecular oxygen bound in its ...

Spin-Coupled Generalized Valence Bond (SCGVB) theory provides the foundation for a compelling and comprehensive orbital model of the electronic structure of molecules, correcting the deficiencies ...

Additionally, the researchers revealed that the lowest unoccupied molecular orbital (LUMO) energy levels of the ligand and ...