The unit cell expansion of branched polyethylene as detected by Raman spectroscopy: an experimental and simulation approach

From molecules to solids with the DMol3 approach

B. Delley · The Journal of Chemical Physics · 2000 · 10.9K citations · Full text

Natural Sciences, Chemistry, Physics +12

An all-electron numerical method for solving the local density functional for polyatomic molecules

B. Delley · The Journal of Chemical Physics · 1990 · 10.5K citations · Full text

Natural Sciences, Chemistry, Computational Chemistry +15

Vibrational spectra in the CH stretching region and the structure of the polymethylene chain

Robert G. Snyder, Shaw Ling Hsu, S. Krimm · Spectrochimica Acta Part A Molecular Spectroscopy · 1978 · 791 citations

Natural Sciences, Chemistry, Physics +14

Raman spectroscopic method for determining the crystallinity of polyethylene

G. Strobl, W. Hagedorn · Journal of Polymer Science Polymer Physics Edition · 1978 · 540 citations

Natural Sciences, Materials Science, Physics +17

Polyethylene unit cell variations with branching

Paul R. Swan · Journal of Polymer Science · 1962 · 201 citations

Natural Sciences, Chemistry, Materials Science +17