Search results

• 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

• 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

• 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

• 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

• 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