Alberto Baiardi

Affiliations: 
ETH Zürich, Zürich, ZH, Switzerland 
Area:
Theoretical Chemistry, Computational Chemistry, Computational Spectroscopy
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"Alberto Baiardi"
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Publications

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Mendolicchio M, Baiardi A, Fronzoni G, et al. (2019) Theory meets experiment for unravelling the C1s X-ray photoelectron spectra of pyridine, 2-fluoropyridine, and 2,6-difluoropyridine. The Journal of Chemical Physics. 151: 124105
Baiardi A, Reiher M. (2019) Large-scale quantum-dynamics with matrix product states. Journal of Chemical Theory and Computation
Baiardi A, Stein CJ, Barone V, et al. (2019) Optimization of highly excited matrix product states with an application to vibrational spectroscopy. The Journal of Chemical Physics. 150: 094113
Baiardi A, Bloino J, Barone V. (2018) Time-dependent formulation of Resonance Raman Optical Activity spectroscopy. Journal of Chemical Theory and Computation
Egidi F, Fusè M, Baiardi A, et al. (2018) Computational simulation of vibrationally resolved spectra for spin-forbidden transitions. Chirality
Puzzarini C, Baiardi A, Bloino J, et al. (2017) Spectroscopic Characterization of Key Aromatic Molecules: A Route toward The Origin of Life. The Astronomical Journal. 154
Cannelli O, Giovannini T, Baiardi A, et al. (2017) Understanding the interplay between the solvent and nuclear rearrangements in the negative solvatochromism of a push-pull flexible quinolinium cation. Physical Chemistry Chemical Physics : Pccp. 19: 32544-32555
Palmer MH, Biczysko M, Baiardi A, et al. (2017) The ionic states of difluoromethane: A reappraisal of the low energy photoelectron spectrum including ab initio configuration interaction computations. The Journal of Chemical Physics. 147: 074305
Baiardi A, Stein CJ, Barone V, et al. (2017) Vibrational Density Matrix Renormalization Group. Journal of Chemical Theory and Computation
Palmer MH, Hoffmann SV, Jones NC, et al. (2017) A combined theoretical and experimental study of the valence and Rydberg states of iodopentafluorobenzene. The Journal of Chemical Physics. 146: 174301
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