Thermochemical properties and relative stability of polychlorinated biphenyls

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

Axel D. Becke · The Journal of Chemical Physics · 1993 · 101.1K citations

Electron Density, Chemical Thermodynamics, Engineering +13

Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules

Warren J. Hehre, R. Ditchfield, John A. Pople · The Journal of Chemical Physics · 1972 · 15.5K citations

Electron Density, Organic Molecules, Gaussian Functions +15

Thermochemical kinetics

D.P. · Journal of Molecular Structure · 1970 · 3.6K citations

Structure and barrier of internal rotation of biphenyl derivatives in the gaseous state

A. Almenningen, Otto Bastiansen, Liv Fernholt et al. · Journal of Molecular Structure · 1985 · 485 citations

Halogenation, Engineering, Physics +10

Biphenyl: three-dimensional data and new refinement at 293 K

G. P. Charbonneau, Y. Délugeard · Acta Crystallographica Section B · 1977 · 236 citations

Crystal Structure, New Refinement, Natural Sciences +5