Single-Bond Torsional Potentials in Conjugated Systems: A Comparison of ab Initio and Density Functional Results
Alfred Karpfen;Cheol Ho Choi;Miklos Kertesz.
Journal of Physical Chemistry A (1997)
Molecular Geometries and Vibrational Spectra of Phenol, Benzaldehyde, and Salicylaldehyde: Experimental versus Quantum Chemical Data
Heike Lampert;Werner Mikenda;Alfred Karpfen.
Journal of Physical Chemistry A (1997)
The effects of electron correlation on the degree of bond alternation and electronic structure of oligomers of polyacetylene
Cheol Ho Choi;Miklos Kertesz;Alfred Karpfen.
Journal of Chemical Physics (1997)
Cooperative Effects in Hydrogen Bonding
Alfred Karpfen.
(2003)
Ab initio studies on polymers. V. All‐trans‐polyethylene
Alfred Karpfen.
Journal of Chemical Physics (1981)
Coupled pair functional study on the hydrogen fluoride dimer. I. Energy surface and characterization of stationary points
Manfred Kofranek;Hans Lischka;Alfred Karpfen.
principles and practice of constraint programming (1988)
Ab initio studies on polymers. I. The linear infinite polyyne
A Karpfen.
Journal of Physics C: Solid State Physics (1979)
Ab initio Studies on polymers
Alfred Karpfen;Jordan Petkov.
Theoretical Chemistry Accounts (1979)
Intramolecular Hydrogen Bonding in 2-Hydroxybenzoyl Compounds: Infrared Spectra and Quantum Chemical Calculations
Heike Lampert;Werner Mikenda, ,† and;Alfred Karpfen.
The Journal of Physical Chemistry (1996)
Ab initio studies on heterocyclic conjugated polymers: structure and vibrational spectra of thiophene, oligothiophenes and polythiophene
Manfred Kofranek;Tomáš Kovář;Hans Lischka;Alfred Karpfen.
Journal of Molecular Structure-theochem (1992)
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