Analysis of an energy minimization method for locating transition states on potential energy hypersurfaces

Formulation of the reaction coordinate

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

Natural Sciences, Chemistry, Analytical Chemistry +5

The synchronous-transit method for determining reaction pathways and locating molecular transition states

Thomas A. Halgren, William N. Lipscomb · Chemical Physics Letters · 1977 · 2K citations

Natural Sciences, Chemistry, Computational Chemistry +12

Electron correlation theories and their application to the study of simple reaction potential surfaces

John A. Pople, R. Krishnan, H. Bernhard Schlegel et al. · International Journal of Quantum Chemistry · 1978 · 1.1K citations

Natural Sciences, Chemistry, Physics +15

Structure of transition states in organic reactions. General theory and an application to the cyclobutene-butadiene isomerization using a semiempirical molecular orbital method

James McIver, Andrew Komornicki · Journal of the American Chemical Society · 1972 · 812 citations

Natural Sciences, Chemistry, Computational Chemistry +8

Symmetries of activated complexes

J.N. Murrell, Keith J. Laidler · Transactions of the Faraday Society · 1968 · 452 citations

Natural Sciences, Chemistry, Physics +11