Concepedia

TDDFT study of twisted intramolecular charge transfer and intermolecular double proton transfer in the excited state of 4′-dimethylaminoflavonol in ethanol solvent

Ye Wang, Ying Shi, Hui Li

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2014 · 62 citations · 51 references

DOI

Concepts

References

51

Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li to Kr

Ansgar Schäfer, Christian Huber, Reinhart Ahlrichs · The Journal of Chemical Physics · 1994 · 9.2K citations

, , +12

Electronic structure calculations on workstation computers: The program system turbomole

Reinhart Ahlrichs, Michael Bär, Marco Häser et al. · Chemical Physics Letters · 1989 · 8.5K citations

, , +9

Adiabatic time-dependent density functional methods for excited state properties

Filipp Furche, Reinhart Ahlrichs · The Journal of Chemical Physics · 2002 · 2.2K citations

, , +17

The nature of the hydrated excess proton in water

Dominik Marx, Mark E. Tuckerman, Jürg Hutter et al. · Nature · 1999 · 1.9K citations

, , +10

Integral approximations for LCAO-SCF calculations

Olav Vahtras, Martin W. Feyereisen · Chemical Physics Letters · 1993 · 1.7K citations

, , +11