| 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 | 315 | 1997 |
| 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 | 200 | 1997 |
| 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 | 168 | 1997 |
| Cooperative effects in hydrogen bonding A Karpfen Advances in chemical physics 123, 469-510, 2002 | 139 | 2002 |
| A b initio studies on polymers. V. All‐trans‐polyethylene A Karpfen The Journal of Chemical Physics 75 (1), 238-245, 1981 | 132 | 1981 |
| Ab initio Studies on polymers: II. All-trans polyene A Karpfen, J Petkov Theoretica chimica acta 53, 65-74, 1979 | 121 | 1979 |
| 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 | 118 | 1988 |
| Ab initio studies on polymers. I. The linear infinite polyyne A Karpfen Journal of Physics C: Solid State Physics 12 (16), 3227, 1979 | 118 | 1979 |
| 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 | 114 | 1996 |
| 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 | 104 | 1994 |
| 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 | 103 | 1992 |
| Ab initio studies on polymers. IV. Polydiacetylenes A Karpfen Journal of Physics C: Solid State Physics 13 (31), 5673, 1980 | 103 | 1980 |
| 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 | 102 | 1988 |
| 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 | 101 | 2000 |
| 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 | 100 | 1987 |
| Cis-trans isomerism in infinite polyacetylenes: an Ab initio study A Karpfen, R Höller Solid State Communications 37 (2), 179-182, 1981 | 94 | 1981 |
| An approach to estimate the energy of the intramolecular hydrogen bond P Lipkowski, A Koll, A Karpfen, P Wolschann Chemical physics letters 360 (3-4), 256-263, 2002 | 91 | 2002 |
| 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, 1-9, 2003 | 89 | 2003 |
| 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 | 87 | 1986 |
| 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 | 82 | 1992 |
