The intermolecular potential of NO(A2Σ)–Ne: An ab initio study

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

Samuel Francis Boys, Fernando Bernardi · Molecular Physics · 1970 · 22K citations

Natural Sciences, Chemistry, Physics +10

Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functions

Rick A. Kendall, Thom H. Dunning, Robert J. Harrison · The Journal of Chemical Physics · 1992 · 15.5K citations

Natural Sciences, Chemistry, Physics +17

Coupled-cluster methods with noniterative triple excitations for restricted open-shell Hartree–Fock and other general single determinant reference functions. Energies and analytical gradients

John D. W. Watts, Rodney J. Bartlett · The Journal of Chemical Physics · 1993 · 2K citations

Natural Sciences, Chemistry, Physics +17

Femtosecond solvation dynamics of water

Ralph Jimenez, Graham R. Fleming, P. V. Kumar et al. · Nature · 1994 · 1.3K citations

Natural Sciences, Biophysics, Chemistry +10

Mo/ller–Plesset perturbation investigation of the He2 potential and the role of midbond basis functions

Fu‐Ming Tao, Yuh‐Kang Pan · The Journal of Chemical Physics · 1992 · 379 citations

Natural Sciences, Chemistry, Physics +13