Concepedia

Push–pull dyes containing malononitrile dimer as acceptor: synthesis, spectroscopy and quantum chemical calculations

Michael C. Zerner, Claudia Reidlinger, Walter M. F. Fabian, Hans Junek

Journal of Molecular Structure THEOCHEM · 2001 · 19 citations · 47 references

DOI

Concepts

References

47

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

Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model

Michael J. S. Dewar, Eve G. Zoebisch, Eamonn F. Healy et al. · Journal of the American Chemical Society · 1985 · 13.1K citations

, , +10

Treatment of electronic excitations within the adiabatic approximation of time dependent density functional theory

Rüdiger Bauernschmitt, Reinhart Ahlrichs · Chemical Physics Letters · 1996 · 5.7K citations

, , +15

An efficient implementation of time-dependent density-functional theory for the calculation of excitation energies of large molecules

R. Stratmann, Gustavo E. Scuseria, Michael J. Frisch · The Journal of Chemical Physics · 1998 · 5.1K citations

, , +17