Publikationen in Zusammenarbeit mit Forschern von University of Ulm (12)

2023

  1. Equilibrium structures of selenium compounds: The torsionally flexible molecule of selenophenol

    Journal of Chemical Physics, Vol. 159, Núm. 2

2021

  1. How accurate is the determination of equilibrium structures for van der Waals complexes? The dimer N2O···CO as an example

    Journal of Chemical Physics, Vol. 154, Núm. 19

2019

  1. How flexible is the disulfide linker? A combined rotational-computational investigation of diallyl disulfide

    Physical Chemistry Chemical Physics, Vol. 21, Núm. 36, pp. 19732-19736

  2. The S−S Bridge: A Mixed Experimental-Computational Estimation of the Equilibrium Structure of Diphenyl Disulfide

    ChemPhysChem, Vol. 20, Núm. 3, pp. 366-373

2018

  1. Semiexperimental and mass-dependent structures by the mixed regression method: Accurate equilibrium structure and failure of the Kraitchman method for ethynylcyclohexane

    Journal of Chemical Physics, Vol. 148, Núm. 6

2017

  1. Axial-equatorial isomerism and semiexperimental equilibrium structures of fluorocyclohexane

    Physical Chemistry Chemical Physics, Vol. 19, Núm. 43, pp. 29162-29169

  2. N-Methyl Inversion and Accurate Equilibrium Structures in Alkaloids: Pseudopelletierine

    Chemistry - A European Journal

  3. N-Methyl Inversion and Accurate Equilibrium Structures in Alkaloids: Pseudopelletierine

    Chemistry - A European Journal, Vol. 23, Núm. 65, pp. 16491-16496

2016

  1. The equilibrium molecular structures of 2-deoxyribose and fructose by the semiexperimental mixed estimation method and coupled-cluster computations

    Physical Chemistry Chemical Physics, Vol. 18, Núm. 23, pp. 15555-15563

2015

  1. Accurate equilibrium structures for piperidine and cyclohexane

    Journal of Physical Chemistry A, Vol. 119, Núm. 9, pp. 1486-1493

2013

  1. Accurate semiexperimental structure of 1,3,4-oxadiazole by the mixed estimation method

    Journal of Physical Chemistry A, Vol. 117, Núm. 10, pp. 2278-2284

2012

  1. Semiexperimental equilibrium structures for the equatorial conformers of N-methylpiperidone and tropinone by the mixed estimation method

    Journal of Physical Chemistry A, Vol. 116, Núm. 34, pp. 8684-8692