Alfred Karpfen

University of Vienna — Austria

Physics and Astronomy · Physical Sciences

47h-index5.7kcitations177works0.02yr avg
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Research Topics

Advanced Chemical Physics Studies(85), Molecular Spectroscopy and Structure(59), Crystallography and molecular interactions(39), Inorganic Fluorides and Related Compounds(29), Spectroscopy and Quantum Chemical Studies(23)

Publications177 total

On the interaction of propynal with HNO, HF, HCl, H2O, CH3OH, and NH3: Red- and blue-shifting hydrogen bonds and tetrel bonds
Computational and Theoretical Chemistry·2019· 14 cited
On the interaction of cyanoformaldehyde with HNO, HF, HCl, H 2 O, and CH 3 OH: A preference for orthogonal structures
Computational and Theoretical Chemistry·2017· 3 cited
On the structure of the H 2 CO-HNO dimer: Planar or orthogonal?
Computational and Theoretical Chemistry·2017· 4 cited
How strong is the edge effect in the adsorption of anticancer drugs on a graphene cluster?
Journal of Molecular Modeling·2016· 18 cited
On the potential energy surfaces of dimers formed between trans-glyoxal, trans-acrolein and formaldehyde
Computational and Theoretical Chemistry·2015· 9 cited
Binding mode and free energy prediction of fisetin/β-cyclodextrin inclusion complexes
Beilstein Journal of Organic Chemistry·2014· 57 citedOpen Access
AH⋯π hydrogen bonding to acetylene and benzene: The role of intramolecular coupling
Computational and Theoretical Chemistry·2012· 9 cited
CCDC 854508: Experimental Crystal Structure Determination
The Cambridge Structural Database·2012Open Access
CCDC 854509: Experimental Crystal Structure Determination
The Cambridge Structural Database·2012Open Access
CCDC 854511: Experimental Crystal Structure Determination
The Cambridge Structural Database·2012Open Access
CCDC 854510: Experimental Crystal Structure Determination
The Cambridge Structural Database·2012Open Access
CCDC 854512: Experimental Crystal Structure Determination
The Cambridge Structural Database·2012Open Access
CCDC 835683: Experimental Crystal Structure Determination
The Cambridge Structural Database·2012Open Access
Systematic investigation on the binding of GW420867X as HIV-1 reverse transcriptase inhibitor
Monatshefte für Chemie - Chemical Monthly·2011· 4 cited
Synthesis and Conformation of Chiral Biheteroaryls
The Journal of Organic Chemistry·2011· 10 cited
Modified ene–yne compounds: a novel functional material with nonlinear optical properties
CrystEngComm·2011· 15 cited
Blue-shifted A–H stretching frequencies in complexes with methanol: the decisive role of intramolecular coupling
Physical Chemistry Chemical Physics·2011· 25 cited
The dimers of glyoxal and acrolein with H2O and HF: Negative intramolecular coupling and blue-shifted C–H stretch
Chemical Physics Letters·2010· 18 cited
Bifunctional influence of 3-chloro substitution on structural and energetic characteristics of N-methyl-salicylidene imines
Journal of Molecular Structure·2009· 10 cited
On the Intramolecular Origin of the Blue Shift of A−H Stretching Frequencies: Triatomic Hydrides HAX
The Journal of Physical Chemistry A·2009· 34 cited
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Frequent Co-authors

Hans Lischka(12), Manfred Kofranek(9), P. R. Bunker(6), Eugene S. Kryachko(5), Miklós Kertész(4), Peter Wolschann(4), Per Jensen(4), Cheol Ho Choi(3), Heike Lampert(3), W. Mikenda(3), Peter Schuster(3), J. Petkov(2), C. Ehrendorfer(2), Tomáš Kovář(2), A. Koll(2), Anton Beyer(2), Robert A. Holler(1), Paweł Lipkowski(1), A. Brciz(1), Tucker Carrington(1)