Datasets
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Search results
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XYZ files & Spin densities and Molecular Orbitals for "Quantum mechanical simulations of the radical-radical chemistry on icy surfaces"
Enrique-Romero, J. (Creator), Rimola Gibert, A. (Creator), Ceccarelli, C. (Creator), Ugliengo, P. (Creator), Balucani, N. (Creator), Skouteris, D. (Creator) & Enrique-Romero, J. (Contributor), Zenodo, 8 Dec 2021
DOI: 10.5281/zenodo.5723996, https://zenodo.org/record/5723996
Dataset
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Atomic coordinates of the structures of iCOMs adsorbed at the surface of an amorphous ice model
Ferrero, S. (Creator), Zamirri, L. (Creator), Ceccarelli, C. (Creator), Witzel, A. (Creator), Rimola Gibert, A. (Creator), Ugliengo, P. (Creator) & Ugliengo, P. (Contributor), Zenodo, 14 Apr 2021
DOI: 10.5281/zenodo.4603786, https://zenodo.org/record/4603786
Dataset
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Binding Energies of Interstellar Relevant S-bearing Species on Water Ice Mantles: A Quantum Mechanical Investigation
Perrero ., J. (Creator), Enrique-Romero, J. (Creator), Ferrero , S. (Creator), Ceccarelli, C. (Creator), Podio, L. (Creator), Codella, C. (Creator), Rimola Gibert, A. (Creator) & Ugliengo, P. (Creator), Zenodo, 5 Jul 2022
DOI: 10.5281/zenodo.6798922, https://zenodo.org/record/6798922
Dataset
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Atomic coordinates of the structures of iCOMs adsorbed at the surface of a crystalline ice model
Ferrero , S. (Creator), Zamirri, L. (Creator), Ceccarelli, C. (Creator), Witzel, A. (Creator), Rimola Gibert, A. (Creator), Ugliengo, P. (Creator) & Ugliengo, P. (Contributor), Zenodo, 14 Apr 2021
DOI: 10.5281/zenodo.4603782, https://zenodo.org/record/4603782
Dataset
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Atomic coordinates of the periodic crystalline ice grain model
Ferrero , S. (Creator), Zamirri, L. (Creator), Ceccarelli, C. (Creator), Witzel, A. (Creator), Rimola Gibert, A. (Creator), Ugliengo, P. (Creator) & Ugliengo, P. (Contributor), Zenodo, 14 Apr 2021
DOI: 10.5281/zenodo.4603774, https://zenodo.org/record/4603774
Dataset