Structural disturbance and lattice relaxation in molecular crystal packing calculations

On the representatation of orientation space

Denis J. Evans · Molecular Physics · 1977 · 424 citations

Natural Sciences, Mathematics, Physics +16

Nonbonded Potential Parameters Derived from Crystalline Aromatic Hydrocarbons

Donald E. Williams · The Journal of Chemical Physics · 1966 · 370 citations

Natural Sciences, Chemistry, Physics +17

The Intermolecular Potentials for Some Simple Nonpolar Molecules

Edward A. Mason, William E. Rice · The Journal of Chemical Physics · 1954 · 366 citations

Natural Sciences, Chemistry, Physics +17

A detailed refinement of the crystal and molecular structure of naphthalene

D. W. J. Cruickshank · Acta Crystallographica · 1957 · 338 citations

Natural Sciences, Chemistry, Crystal Structure +9

Method for Calculating Internal Rotation Barriers

Roy A. Scott, Harold A. Scheraga · The Journal of Chemical Physics · 1965 · 335 citations

Natural Sciences, Chemistry, Physics +17