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
Solvent Effect on Optical Rotation: A Case Study of Methyloxirane in Water
Mukhopadhyay, Parag, Zuber, Gérard, Goldsmith, Michael-Rock, Wipf, Peter, Beratan, David N.
Published in Chemphyschem (11.12.2006)
Published in Chemphyschem (11.12.2006)
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Journal Article
The chiroptical signature of achiral metal clusters induced by dissymmetric adsorbates
Goldsmith, Michael-Rock, George, Christopher B, Zuber, Gérard, Naaman, Ron, Waldeck, David H, Wipf, Peter, Beratan, David N
Published in Physical chemistry chemical physics : PCCP (01.01.2006)
Published in Physical chemistry chemical physics : PCCP (01.01.2006)
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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
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
Contribution of a Solute's Chiral Solvent Imprint to Optical Rotation
Mukhopadhyay, Parag, Zuber, Gérard, Wipf, Peter, Beratan, David N.
Published in Angewandte Chemie (International ed.) (27.08.2007)
Published in Angewandte Chemie (International ed.) (27.08.2007)
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