Density functional theory predictions for the binding of transition metal cations to pi systems: from acetylene to coronene and tribenzocyclyne

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

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

Natural Sciences, Chemistry, Physics +13

Solvation of Transition Metal Ions by Water. Sequential Binding Energies of M+(H2O)x (x = 1-4) for M = Ti to Cu Determined by Collision-Induced Dissociation

Nathan F. Dalleska, Kenji Honma, Lee S. Sunderlin et al. · Journal of the American Chemical Society · 1994 · 425 citations

Natural Sciences, Chemistry, Analytical Chemistry +12

Density functional calculations on first-row transition metals

Thomas Russo, Richard L. Martin, P. Jeffrey Hay · The Journal of Chemical Physics · 1994 · 308 citations · Full text

Natural Sciences, Chemistry, Physics +15

Thermochemistry of Transition Metal Benzene Complexes: Binding Energies of M(C6H6)x+ (x = 1, 2) for M = Ti to Cu

Franc Meyer, Farooq A. Khan, P. B. Armentrout · Journal of the American Chemical Society · 1995 · 305 citations

Natural Sciences, Chemistry, Analytical Chemistry +9

Theoretical study of transition-metal ions bound to benzene

Charles W. Bauschlicher, Harry Partridge, Stephen R. Langhoff · The Journal of Physical Chemistry · 1992 · 206 citations

Natural Sciences, Chemistry, Inorganic Chemistry +10