Formation of five- and six-membered heterocyclic rings under radical cyclisation conditions

Density-functional thermochemistry. III. The role of exact exchange

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Electron Density, Chemical Thermodynamics, Engineering +13

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Chengteh Lee, Weitao Yang, Robert G. Parr · Physical review. B, Condensed matter · 1988 · 98.6K citations

Electron Density, Gradient Expansions, Engineering +14

Self-consistent molecular orbital methods 25. Supplementary functions for Gaussian basis sets

Michael J. Frisch, John A. Pople, J. Stephen Binkley · The Journal of Chemical Physics · 1984 · 8.4K citations

Physics, Modified Basis Sets, Natural Sciences +13

Efficient diffuse function‐augmented basis sets for anion calculations. III. The 3‐21+G basis set for first‐row elements, Li–F

Timothy Clark, Jayaraman Chandrasekhar, Günther W. Spitznagel et al. · Journal of Computational Chemistry · 1983 · 7K citations

Small Diffuse, Larger Basis Sets, Engineering +12

The Design and Application of Free Radical Chain Reactions in Organic Synthesis. Part 2

Dennis P. Curran · Synthesis · 1988 · 791 citations

Engineering, Organic Chemistry, Organic Radicals +16