Quantification of electron transfer on carbon nanotubes: Effect of edge defects on electro-oxidation of glycerol catalyzed by platinum

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 · 98.6K citations

Electron Density, Gradient Expansions, Engineering +14

A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

Stefan Grimme, Jens Antony, Stephan Ehrlich et al. · The Journal of Chemical Physics · 2010 · 53.8K citations

Engineering, Physics, Natural Sciences +11

Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions

Aleksandr V. Marenich, Christopher J. Cramer, Donald G. Truhlar · The Journal of Physical Chemistry B · 2009 · 16.7K citations

Engineering, Computational Chemistry, Chemistry +16

Quantifying Defects in Graphene via Raman Spectroscopy at Different Excitation Energies

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Electron transfer in a new highly conducting donor-acceptor complex

John P. Ferraris, D. O. Cowan, Vernon Walatka et al. · Journal of the American Chemical Society · 1973 · 1.8K citations

Altmetrics, Engineering, Donor-acceptor Complexjohn +13