Alfred Karpfen

Single-Bond Torsional Potentials in Conjugated Systems:  A Comparison of <i>ab</i> <i>Initio</i> and Density Functional Results

Alfred Karpfen, Cheol Ho Choi, Miklós Kertész · The Journal of Physical Chemistry A · 1997 · 264 citations

Molecular Geometries and Vibrational Spectra of Phenol, Benzaldehyde, and Salicylaldehyde:  Experimental versus Quantum Chemical Data

Heike Lampert, W. Mikenda, Alfred Karpfen · The Journal of Physical Chemistry A · 1997 · 170 citations

Geometric Data, Molecular Spectroscopy, Vibrational Spectra +15

The effects of electron correlation on the degree of bond alternation and electronic structure of oligomers of polyacetylene

Cheol Ho Choi, Miklós Kertész, Alfred Karpfen · The Journal of Chemical Physics · 1997 · 142 citations

Engineering, Bond Alternation Values, Computational Chemistry +16

<i>A</i> <i>b</i> <i>i</i> <i>n</i> <i>i</i> <i>t</i> <i>i</i> <i>o</i> studies on polymers. V. All-<i>t</i> <i>r</i> <i>a</i> <i>n</i> <i>s</i>-polyethylene

Alfred Karpfen · The Journal of Chemical Physics · 1981 · 112 citations

Engineering, Responsive Polymers, Gaussian Basis Sets +25

Coupled pair functional study on the hydrogen fluoride dimer. I. Energy surface and characterization of stationary points

Manfred Kofranek, Hans Lischka, Alfred Karpfen · Chemical Physics · 1988 · 111 citations

Physics, Energy Surface, Natural Sciences +8