Concepedia

Electronic properties of 1-methyl-4-phenyl-1H-tetrazole-5(4H)-thiones: An experimental and theoretical study

Sundeep Rayat, Radhika Chhabra, Olajide E. Alawode, Aditya S. Gundugola

Journal of Molecular Structure · 2009 · 10 citations · 43 references

DOI

Concepts

References

43

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

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

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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

Toward a systematic molecular orbital theory for excited states

James B. Foresman, Martin Head‐Gordon, John A. Pople et al. · The Journal of Physical Chemistry · 1992 · 2.4K citations

, , +11

Failure of Time-Dependent Density Functional Theory for Long-Range Charge-Transfer Excited States:  The Zincbacteriochlorin−Bacteriochlorin and Bacteriochlorophyll−Spheroidene Complexes

Andreas Dreuw, Martin Head‐Gordon · Journal of the American Chemical Society · 2004 · 1.8K citations

, , +17

Geometries and properties of excited states in the gas phase and in solution: Theory and application of a time-dependent density functional theory polarizable continuum model

Giovanni Scalmani, Michael J. Frisch, Benedetta Mennucci et al. · The Journal of Chemical Physics · 2006 · 1.4K citations

, , +17