Virtual screening of borate derivatives as high-performance additives in lithium-ion batteries

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

Axel D. Becke · The Journal of Chemical Physics · 1993 · 101.1K citations

Electron Density, Chemical Thermodynamics, Engineering +13

Density-functional exchange-energy approximation with correct asymptotic behavior

Axel D. Becke · Physical review. A, General physics · 1988 · 52.9K citations

Localized Excited State, Engineering, Exchange Energies +17

Issues and challenges facing rechargeable lithium batteries

J. M. Tarascon, Michel Armand · Nature · 2001 · 20.3K citations

Electric Battery, Electrical Engineering, Engineering +6

Building better batteries

Michel Armand, J.-M. Tarascon · Nature · 2008 · 19K citations

Electric Battery, Electrical Engineering, Engineering +7

Geometry optimization of molecular structures in solution by the polarizable continuum model

Vincenzo Barone, Maurizio Cossi, Jacopo Tomasi · Journal of Computational Chemistry · 1998 · 1.7K citations

Relaxation Process, New Implementation, Engineering +20