On the formation of methane and hydrogen during cracking of alkanes

Formulation of the reaction coordinate

Ken–ichi Fukui · The Journal of Physical Chemistry · 1970 · 3.5K citations

Natural Sciences, Chemistry, Analytical Chemistry +5

<i>Ab initio</i>calculation of force constants and equilibrium geometries in polyatomic molecules

Péter Pulay · Molecular Physics · 1969 · 2.4K citations

Natural Sciences, Chemistry, Physics +14

Approximate Self-Consistent Molecular-Orbital Theory. V. Intermediate Neglect of Differential Overlap

John A. Pople, D. L. Beveridge, Paul A. Dobosh · The Journal of Chemical Physics · 1967 · 1.5K citations

Natural Sciences, Chemistry, Physics +13

The intrinsic reaction coordinate. An <i>a</i> <i>b</i> <i>i</i> <i>n</i> <i>i</i> <i>t</i> <i>i</i> <i>o</i> calculation for HNC→HCN and H−+CH4→CH4+H−

Kazuhiro Ishida, Keiji Morokuma, Andrew Komornicki · The Journal of Chemical Physics · 1977 · 872 citations

Natural Sciences, Chemistry, Computational Chemistry +15

Studies of the Hydrogen Held by Solids. VIII. The Decationated Zeolites

Jan B. Uytterhoeven, L. Christner, W. Keith Hall · The Journal of Physical Chemistry · 1965 · 436 citations

Natural Sciences, Chemistry, Physics +6