The impact of aromatic π-spacers and internal acceptors in triphenylamine dyes for DSSCs: A DFT approach

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

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The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals

Yan Zhao, Donald G. Truhlar · Theoretical Chemistry Accounts · 2007 · 30K citations · Full text

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A low-cost, high-efficiency solar cell based on dye-sensitized colloidal TiO2 films

Brian C. O’Regan, Michaël Grätzel · Nature · 1991 · 28.4K citations · Full text

Natural Sciences, Materials Engineering, Materials Science +14

A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP)

Takeshi Yanai, David P. Tew, Nicholas C. Handy · Chemical Physics Letters · 2004 · 14.8K citations

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Electron transfers in chemistry and biology

R. A. Marcus, Norman Sutin · Biochimica et Biophysica Acta (BBA) - Reviews on Bioenergetics · 1985 · 8K citations

Natural Sciences, Chemical Biology, Chemistry +12