On the interaction of propynal with HNO, HF, HCl, H2O, CH3OH, and NH3: Red- and blue-shifting hydrogen bonds and tetrel bonds von Karpfen, Alfred

Volltext

On blue shifts of C–H stretching modes of dimethyl ether in hydrogen- and halogen-bonded complexes von Karpfen, Alfred, Kryachko, Eugene S.

Volltext

The intermolecular interaction in the charge-transfer complexes between amines and halogens: A theoretical characterization of the trends in halogen bonding von Karpfen, Alfred

Volltext

Binding mode and free energy prediction of fisetin/β-cyclodextrin inclusion complexes von Nutho, Bodee, Khuntawee, Wasinee, Rungnim, Chompoonut, Pongsawasdi, Piamsook, Wolschann, Peter, Karpfen, Alfred, Kungwan, Nawee, Rungrotmongkol, Thanyada

Volltext

On the interaction of cyanoformaldehyde with HNO, HF, HCl, H2O, and CH3OH: A preference for orthogonal structures von Karpfen, Alfred

Volltext

On the interaction of cyanoformaldehyde with HNO, HF, HCl, H 2 O, and CH 3 OH: A preference for orthogonal structures von Karpfen, Alfred

Volltext

On the structure of the H2CO-HNO dimer: Planar or orthogonal? von Karpfen, Alfred

Volltext

On the structure of the H 2 CO-HNO dimer: Planar or orthogonal? von Karpfen, Alfred

Volltext

Blue-shifted A-H stretching frequencies in complexes with methanol: the decisive role of intramolecular coupling von Karpfen, Alfred

Volltext

On the potential energy surfaces of dimers formed between trans-glyoxal, trans-acrolein and formaldehyde von Karpfen, Alfred

Volltext

The Dimer of Acetylene and the Dimer of Diacetylene:  A Floppy and a Very Floppy Molecule von Karpfen, Alfred

Volltext

Molecular Geometries and Vibrational Spectra of Phenol, Benzaldehyde, and Salicylaldehyde:  Experimental versus Quantum Chemical Data von Lampert, Heike, Mikenda, Werner, Karpfen, Alfred

Volltext

The effects of electron correlation on the degree of bond alternation and electronic structure of oligomers of polyacetylene von Ho Choi, Cheol, Kertesz, Miklos, Karpfen, Alfred

Volltext

Blue-shifted A―H stretching frequencies in complexes with methanol: the decisive role of intramolecular coupling: Weak hydrogen bonds - strong effects? von KARPFEN, Alfred

Volltext

Torsional Potentials of Perfluoro-1,3-butadiene and Perfluoro-1,3,5-hexatriene:  A Comparison of ab Initio and Density Functional Results von Karpfen, Alfred

Volltext

The Torsional Potential of Dimethyl Peroxide:  Still a Difficult Case for Theory von Tonmunphean, Somsak, Parasuk, Vudhichai, Karpfen, Alfred

Volltext

Theoretical Characterization of the Trends in Halogen Bonding von Karpfen, Alfred

Volltext

Charge-Transfer Complexes between NH3 and the Halogens F2, ClF, and Cl2:  An ab Initio Study on the Intermolecular Interaction von Karpfen, Alfred

Volltext

The dimers of glyoxal and acrolein with H2O and HF: Negative intramolecular coupling and blue-shifted C–H stretch von Karpfen, Alfred, Kryachko, Eugene S.

Volltext

Density functional calculations on cyclodextrins von Karpfen, Alfred, Liedl, Elisabeth, Snor, Walter, Viernstein, Helmut, Weiss-Greiler, Petra, Wolschann, Peter

Volltext