On the structure of chemisorbed acetylene and ethylene on Ni, Pd and Pt surfaces

Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules

R. Ditchfield, Warren J. Hehre, John A. Pople · The Journal of Chemical Physics · 1971 · 10.5K citations

Natural Sciences, Chemistry, Physics +15

Derivation of the extended Hückel method with corrections: One electron molecular orbital theory for energy level and structure determinations

Alfred B. Anderson · The Journal of Chemical Physics · 1975 · 343 citations

Natural Sciences, Chemistry, Physics +10

Identification of surface radicals by vibration spectroscopy: Reactions of C2H2, C2H4, and H2 on Pt (111)

H. Ibach, S. Lehwald · Journal of Vacuum Science and Technology · 1978 · 323 citations

Natural Sciences, Chemistry, Materials Science +17

Core holes in chemisorbed atoms

N. D. Lang, A. R. Williams · Physical review. B, Solid state · 1977 · 256 citations

Natural Sciences, Chemistry, Physics +17

CH Vibration Softening and the Dehydrogenation of Hydrocarbon Molecules on Ni(111) and Pt(111)

J. E. Demuth, H. Ibach, S. Lehwald · Physical Review Letters · 1978 · 251 citations

Natural Sciences, Chemistry, Materials Science +13