Alfred Karpfen
Alfred Karpfen
a.o.Univ-Prof. i.R., Institute of Theoretical Chemistry, Universität Wien
Verified email at univie.ac.at
TitleCited byYear
Single-Bond Torsional Potentials in Conjugated Systems:  A Comparison of ab Initio and Density Functional Results
A Karpfen, CH Choi, M Kertesz
The Journal of Physical Chemistry A 101 (40), 7426-7433, 1997
2851997
Molecular geometries and vibrational spectra of phenol, benzaldehyde, and salicylaldehyde: experimental versus quantum chemical data
H Lampert, W Mikenda, A Karpfen
The Journal of Physical Chemistry A 101 (12), 2254-2263, 1997
1681997
The effects of electron correlation on the degree of bond alternation and electronic structure of oligomers of polyacetylene
C Ho Choi, M Kertesz, A Karpfen
The Journal of chemical physics 107 (17), 6712-6721, 1997
1441997
Ab initio studies on polymers. V. All‐trans‐polyethylene
A Karpfen
The Journal of Chemical Physics 75 (1), 238-245, 1981
1241981
Cooperative effects in hydrogen bonding
A Karpfen
Advances in chemical physics 123, 469-510, 2002
1172002
Coupled pair functional study on the hydrogen fluoride dimer. I. Energy surface and characterization of stationary points
M Kofranek, H Lischka, A Karpfen
Chemical physics 121 (1), 137-153, 1988
1151988
Solid State Comm. 29, 251 (1979)
A Karpfen, J Petkov
Theor. Chim. Acta 53, 65, 1979
1111979
Ab initio studies on polymers. I. The linear infinite polyyne
A Karpfen
Journal of Physics C: Solid State Physics 12 (16), 3227, 1979
1031979
Intramolecular hydrogen bonding in 2-hydroxybenzoyl compounds: infrared spectra and quantum chemical calculations
H Lampert, W Mikenda, A Karpfen
The Journal of Physical Chemistry 100 (18), 7418-7425, 1996
981996
Ab initio studies on heterocyclic conjugated polymers: structure and vibrational spectra of thiophene, oligothiophenes and polythiophene
M Kofranek, T Kovář, H Lischka, A Karpfen
Journal of Molecular Structure: THEOCHEM 259, 181-198, 1992
981992
Spatial extension of a bipolaronic defect in oligothiophenes and in polythiophene: a combined semiempirical and ab initio study
C Ehrendorfer, A Karpfen
The Journal of Physical Chemistry 98 (31), 7492-7496, 1994
971994
An analytical six‐dimensional potential energy surface for (HF)2 from ab initio calculations
PR Bunker, M Kofranek, H Lischka, A Karpfen
The Journal of chemical physics 89 (5), 3002-3007, 1988
941988
Ab initio studies on polymers. IV. Polydiacetylenes
A Karpfen
Journal of Physics C: Solid State Physics 13 (31), 5673, 1980
931980
Ab initio studies on hydrogen-bonded clusters. I. Linear and cyclic oligomers of hydrogen cyanide
M Kofranek, A Karpfen, H Lischka
Chemical physics 113 (1), 53-64, 1987
921987
Cis-trans isomerism in infinite polyacetylenes: an ab initio study
A Karpfen, R Höller
Solid State Communications 37 (2), 179-182, 1981
901981
Charge-transfer complexes between NH3 and the halogens F2, ClF, and Cl2: an ab initio study on the intermolecular interaction
A Karpfen
The Journal of Physical Chemistry A 104 (29), 6871-6879, 2000
852000
Ab initio calculations on the excited states of π-systems. I. Valence excitations in acetylene
H Lischka, A Karpfen
Chemical physics 102 (1-2), 77-89, 1986
851986
The intermolecular interaction in the charge-transfer complexes between amines and halogens: A theoretical characterization of the trends in halogen bonding
A Karpfen
Theoretical Chemistry Accounts 110 (1), 1-9, 2003
782003
Ab initio studies on heterocyclic conjugated polymers: Structure and vibrational spectra of pyrrole, oligopyrroles, and polypyrrole
M Kofranek, T Kovář, A Karpfen, H Lischka
The Journal of chemical physics 96 (6), 4464-4473, 1992
761992
A candidate for an ion pair in the vapor phase: Proton transfer in complexes R3N-HX
A Brciz, A Karpfen, H Lischka, P Schuster
Chemical physics 89 (3), 337-343, 1984
761984
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Articles 1–20