An estimation of the molecular geometry of the transition state of a chemical reaction

An efficient method for finding the minimum of a function of several variables without calculating derivatives

1964 • 4,391 citations

Structure and Mechanism in Organic Chemistry

1953 • 1,447 citations

Study of the Electronic Structure of Molecules. II. Wavefunctions for the NH3+HCl→NH4Cl Reaction

1967 • 234 citations

Function Minimization Without Evaluating Derivatives--a Review

1965 • 217 citations

近似的な自己無どう着分子軌道理論 II 微分重なりを完成に無視したときの計算

1965 • 132 citations

A Hartree-Fock SCF calculation of the activation energies for two SN2 reactions

1971 • 54 citations

Theoretical Studies of Proton-Transfer Reactions. I. Reactions of Hydride Ion with Hydrogen Molecules.

1968 • 37 citations

An attempted application of the extended h�ckel molecular orbital approach to reactions involving charged species

1969 • 13 citations

Semi-empirical calculations on carbinol—carbonium ion equilibria

1970 • 3 citations

A comparison of the extended Hückel and the CNDO methods of determining the most stable molecular structure of methyl fluoride

1971 • 3 citations