The role of different types of acid site in the cracking of alkanes on zeolite catalysts

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

Ground states of molecules. XXVI. MINDO/3 calculations for hydrocarbons

Richard C. Bingham, Michael J. S. Dewar, Donald H. Lo · Journal of the American Chemical Society · 1975 · 406 citations

Natural Sciences, Chemistry, Computational Chemistry +6

Molecular orbital theory of the electronic structure of organic molecules. 40. Structures and energies of C1-C3 carbocations including effects of electron correlation

Krishnan Raghavachari, Robert A. Whiteside, John A. Pople et al. · Journal of the American Chemical Society · 1981 · 344 citations

Natural Sciences, Chemistry, Physics +11

Computational experience with quadratically convergent minimisation methods

B. A. Murtagh · The Computer Journal · 1970 · 343 citations · Full text

Computing, Computer Science, Mathematics +12

Stable carbocations. CXVIII. General concept and structure of carbocations based on differentiation of trivalent (classical) carbenium ions from three-center bound penta- of tetracoordinated (nonclassical) carbonium ions. Role of carbocations in electrophilic reactions

George A. Olah · Journal of the American Chemical Society · 1972 · 268 citations

Natural Sciences, Chemistry, Inorganic Chemistry +5