Rarefied Basis Sets for the Calculation of Optical Tensors. 1. The Importance of Gradients on Hydrogen Atoms for the Raman Scattering Tensor
Zuber, Gérard, Hug, Werner
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (18.03.2004)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (18.03.2004)
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Journal Article
1,4-Dimethylenespiropentane: A Unique Model System for Studying Fermi Resonance in Raman Optical Activity
Hug, Werner, Haesler, Jacques, Kozhushkov, Sergei I., de Meijere, Armin
Published in Chemphyschem (04.06.2007)
Published in Chemphyschem (04.06.2007)
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Journal Article
Efficient Calculation of ROA Tensors with Analytical Gradients and Fragmentation
Thorvaldsen, Andreas J., Gao, Bin, Ruud, Kenneth, Fedorovsky, Maxim, Zuber, Gérard, Hug, Werner
Published in Chirality (New York, N.Y.) (01.12.2012)
Published in Chirality (New York, N.Y.) (01.12.2012)
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Journal Article
Total Synthesis of Junionone, a Natural Monoterpenoid from Juniperus communis L., and Determination of the Absolute Configuration of the Naturally Occurring Enantiomer by ROA Spectroscopy
Lovchik, Martin A., Fráter, Georg, Goeke, Andreas, Hug, Werner
Published in Chemistry & biodiversity (01.01.2008)
Published in Chemistry & biodiversity (01.01.2008)
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Journal Article
Analysis of the VROA signals of helical heptasilanes using an atomistic approach
Liégeois, Vincent, Quinet, Olivier, Champagne, Benoît, Haesler, Jacques, Zuber, Gérard, Hug, Werner
Published in Vibrational spectroscopy (24.11.2006)
Published in Vibrational spectroscopy (24.11.2006)
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Journal Article