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DFT/TD-DFT study of solvent effect as well the substituents influence on the different features of TPP derivatives for PDT application

Mateusz Dulski, Marta Kempa, Patrycja Kozub, Justyna Wójcik, Marcin Rojkiewicz, P. Kuś, Agnieszka Szurko, A. Ratuszna, R. Wrzalik

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2012 · 23 citations · 32 references

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32

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

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Density-functional theory of atoms and molecules

James D. Patterson · Annals of Nuclear Energy · 1989 · 12.6K citations

, , +12

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