Concepedia

A density functional theory study of the structure and properties of the substituted subphthalocyanines

Xue Gong, He Ming Xiao, Pin Gao, He Tian

Journal of Molecular Structure THEOCHEM · 2002 · 16 citations · 27 references

DOI

Concepts

References

27

Density-functional thermochemistry. III. The role of exact exchange

Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations

, , +13

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Chengteh Lee, Weitao Yang, Robert G. Parr · Physical review. B, Condensed matter · 1988 · 100.1K citations

, , +17

Self-consistent molecular orbital methods. 21. Small split-valence basis sets for first-row elements

J. Stephen Binkley, John A. Pople, Warren J. Hehre · Journal of the American Chemical Society · 1980 · 3.9K citations

, , +7

The effect of d-functions on molecular orbital energies for hydrocarbons

P. C. Hariharan, John A. Pople · Chemical Physics Letters · 1972 · 1.1K citations

, , +12

Phthalocyanines and related compounds:organic targets for nonlinear optical applications

Gema de la Torre, Purificación Vázquez, F. Agulló‐López et al. · Journal of Materials Chemistry · 1998 · 580 citations

, , +17