Molecular structure and function

An Extended Hückel Theory. I. Hydrocarbons

Roald Hoffmann · The Journal of Chemical Physics · 1963 · 4.6K citations

Natural Sciences, Chemistry, Computational Chemistry +16

Many-Body Perturbation Theory and Coupled Cluster Theory for Electron Correlation in Molecules

Rodney J. Bartlett · Annual Review of Physical Chemistry · 1981 · 2.1K citations

Natural Sciences, Chemistry, Physics +16

Design of Specific Inhibitors of Angiotensin-Converting Enzyme: New Class of Orally Active Antihypertensive Agents

Miguel A. Ondetti, Bernard Rubin, David W. Cushman · Science · 1977 · 1.9K citations

Pharmacy, Medicinal Chemistry, Pharmacology +16

Theory of Polyhedral Molecules. I. Physical Factorizations of the Secular Equation

Roald Hoffmann, William N. Lipscomb · The Journal of Chemical Physics · 1962 · 943 citations

Natural Sciences, Chemistry, Physics +14

Theory of Magnetic Susceptibilities and NMR Chemical Shifts in Terms of Localized Quantities

Werner Kutzelnigg · Israel Journal of Chemistry · 1980 · 688 citations

Natural Sciences, Chemistry, Physics +14