Química Física y Química Inorgánica
Departamento
University of Ulm
Ulm, AlemaniaPublicaciones en colaboración con investigadores/as de University of Ulm (13)
2023
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Equilibrium structures of selenium compounds: The torsionally flexible molecule of selenophenol
Journal of Chemical Physics, Vol. 159, Núm. 2
2021
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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
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Laboratory Observation of, Astrochemical Search for, and Structure of Elusive Erythrulose in the Interstellar Medium
Journal of Physical Chemistry Letters, Vol. 12, Núm. 4, pp. 1352-1359
2019
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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
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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
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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
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Axial-equatorial isomerism and semiexperimental equilibrium structures of fluorocyclohexane
Physical Chemistry Chemical Physics, Vol. 19, Núm. 43, pp. 29162-29169
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N-Methyl Inversion and Accurate Equilibrium Structures in Alkaloids: Pseudopelletierine
Chemistry - A European Journal
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N-Methyl Inversion and Accurate Equilibrium Structures in Alkaloids: Pseudopelletierine
Chemistry - A European Journal, Vol. 23, Núm. 65, pp. 16491-16496
2016
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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
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Accurate equilibrium structures for piperidine and cyclohexane
Journal of Physical Chemistry A, Vol. 119, Núm. 9, pp. 1486-1493
2013
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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
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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