Concepedia

Resonance driven regioselective demethylation of berberine. Microwave assisted synthesis of berberrubine and its assessment as fluorescent chemosensor for alkanes

Arantzazu Delgado-Camón, Carmen Jarne, Vicente L. Cebolla, Olatz Larrañaga, Abel de Cózar, Fernando P. Cossío, Yosu Vara, Andrés Domínguez, Luis Membrado, Javier Galbán,

Tetrahedron · 2015 · 14 citations · 23 references

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23

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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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

, , +12

Ab initio molecular orbital theory

Warren J. Hehre · Accounts of Chemical Research · 1976 · 7.9K citations

, , +5

Efficient implementation of the gauge-independent atomic orbital method for NMR chemical shift calculations

Krzysztof Woliński, James F. Hinton, Péter Pulay · Journal of the American Chemical Society · 1990 · 6.8K citations

, , +5

Nucleus-Independent Chemical Shifts:  A Simple and Efficient Aromaticity Probe

Paul von Ragué Schleyer, Christoph Maerker, Alk Dransfeld et al. · Journal of the American Chemical Society · 1996 · 6.2K citations

, , +5