The equilibrium structure of C70. An ab initio Hartree-Fock study

C60: Buckminsterfullerene

Harold W. Kroto, J. R. Heath, Sean C. O’Brien et al. · Nature · 1985 · 15.9K citations

Electronic structure calculations on workstation computers: The program system turbomole

Reinhart Ahlrichs, Michael Bär, Marco Häser et al. · Chemical Physics Letters · 1989 · 8.5K citations

Computing, Computer Science, High-performance Computing +9

Solid C60: a new form of carbon

Wolfgang Krätschmer, Lowell D. Lamb, K. Fostiropoulos et al. · Nature · 1990 · 7.6K citations

Natural Sciences, Chemistry, Materials Science +7

Gaussian Basis Functions for Use in Molecular Calculations. I. Contraction of (9s5p) Atomic Basis Sets for the First-Row Atoms

Thom H. Dunning · The Journal of Chemical Physics · 1970 · 5K citations

Natural Sciences, Chemistry, Physics +15

Gaussian-Type Functions for Polyatomic Systems. I

Sigeru Huzinaga · The Journal of Chemical Physics · 1965 · 5K citations

Natural Sciences, Chemistry, Physics +12