Concepedia

Linear correlation between DSSC efficiency, intramolecular charge transfer characteristics, and NLO properties – DFT approach

Dinesh S. Patil, Kiran C. Avhad, Nagaiyan Sekar

Computational and Theoretical Chemistry · 2018 · 97 citations · 61 references

DOI

Concepts

References

61

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

A new mixing of Hartree–Fock and local density-functional theories

Axel D. Becke · The Journal of Chemical Physics · 1993 · 16.4K citations

, , +11

Molecular excitation energies to high-lying bound states from time-dependent density-functional response theory: Characterization and correction of the time-dependent local density approximation ionization threshold

Mark E. Casida, Christine Jamorski, Kim C. Casida et al. · The Journal of Chemical Physics · 1998 · 5K citations

, , +9

Ab initio study of solvated molecules: a new implementation of the polarizable continuum model

Maurizio Cossi, Vincenzo Barone, Roberto Cammi et al. · Chemical Physics Letters · 1996 · 3.4K citations

, , +17

Metal‐Free Organic Dyes for Dye‐Sensitized Solar Cells: From Structure: Property Relationships to Design Rules

Amaresh Mishra, Markus Fischer, Peter Bäuerle · Angewandte Chemie International Edition · 2009 · 2.8K citations

, , +17