Computational BioNanoCat

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• CCDC 2176428: Experimental Crystal Structure Determination

  Takahashi, S. (Creator), Frutos, M. (Contributor), Baceiredo, A. (Contributor), Madec, D. (Contributor), Saffon-Merceron, N. (Contributor), Branchadell Gallo, V. (Contributor) & Kato, T. (Contributor), Cambridge Crystallographic Data Centre, 1 Jun 2022

  DOI: 10.5517/ccdc.csd.cc2c1rck, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2c1rck&sid=DataCite

  Dataset

• CCDC 2176429: Experimental Crystal Structure Determination

  Takahashi, S. (Creator), Frutos, M. (Contributor), Baceiredo, A. (Contributor), Madec, D. (Contributor), Saffon-Merceron, N. (Contributor) & Branchadell Gallo, V. (Contributor), Cambridge Crystallographic Data Centre, 1 Jun 2022

  DOI: 10.5517/ccdc.csd.cc2c1rdl, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2c1rdl&sid=DataCite

  Dataset

• 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

• CCDC 2012988: Experimental Crystal Structure Determination

  Sánchez-Férez, F. (Creator), Solans Monfort, X. (Contributor), Calvet, T. (Contributor), Font-Bardia, M. (Contributor) & Pons Picart, J. (Contributor), Cambridge Crystallographic Data Centre, 29 Jun 2020

  DOI: 10.5517/ccdc.csd.cc25kp3k, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc25kp3k&sid=DataCite

  Dataset

• CCDC 2012990: Experimental Crystal Structure Determination

  Sánchez-Férez, F. (Creator), Solans Monfort, X. (Contributor), Calvet, T. (Contributor), Font-Bardia, M. (Contributor) & Pons Picart, J. (Contributor), Cambridge Crystallographic Data Centre, 29 Jun 2020

  DOI: 10.5517/ccdc.csd.cc25kp5m, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc25kp5m&sid=DataCite

  Dataset

• CCDC 2132696: Experimental Crystal Structure Determination

  Tejeda, G. (Creator), Belov, D. S. (Contributor), Fenoll, D. A. (Contributor), Rue, K. L. (Contributor), Tsay, C. (Contributor), Solans Monfort, X. (Contributor) & Bukhryakov, K. V. (Contributor), Cambridge Crystallographic Data Centre, 5 Jan 2022

  DOI: 10.5517/ccdc.csd.cc29l7nt, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc29l7nt&sid=DataCite

  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

• CCDC 2012989: Experimental Crystal Structure Determination

  Sánchez-Férez, F. (Creator), Solans Monfort, X. (Contributor), Calvet, T. (Contributor), Font-Bardia, M. (Contributor) & Pons Picart, J. (Contributor), Cambridge Crystallographic Data Centre, 29 Jun 2020

  DOI: 10.5517/ccdc.csd.cc25kp4l, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc25kp4l&sid=DataCite

  Dataset

• CCDC 2155639: Experimental Crystal Structure Determination

  Sánchez-Férez, F. (Creator), Solans Monfort, X. (Contributor), Calvet, T. (Contributor), Font-Bardia, M. (Contributor) & Pons Picart, J. (Contributor), Cambridge Crystallographic Data Centre, 1 Mar 2022

  DOI: 10.5517/ccdc.csd.cc2bc3rl, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2bc3rl&sid=DataCite

  Dataset

• CCDC 2012993: Experimental Crystal Structure Determination

  Sánchez-Férez, F. (Creator), Solans Monfort, X. (Contributor), Calvet, T. (Contributor), Font-Bardia, M. (Contributor) & Pons Picart, J. (Contributor), Cambridge Crystallographic Data Centre, 29 Jun 2020

  DOI: 10.5517/ccdc.csd.cc25kp8q, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc25kp8q&sid=DataCite

  Dataset

• CCDC 2132697: Experimental Crystal Structure Determination

  Tejeda, G. (Creator), Belov, D. S. (Contributor), Fenoll, D. A. (Contributor), Rue, K. L. (Contributor), Tsay, C. (Contributor), Solans Monfort, X. (Contributor) & Bukhryakov, K. V. (Contributor), Cambridge Crystallographic Data Centre, 5 Jan 2022

  DOI: 10.5517/ccdc.csd.cc29l7pv, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc29l7pv&sid=DataCite

  Dataset

• CCDC 2176427: Experimental Crystal Structure Determination

  Takahashi, S. (Contributor), Frutos, M. (Contributor), Baceiredo, A. (Contributor), Madec, D. (Contributor), Saffon-Merceron, N. (Contributor), Branchadell Gallo, V. (Contributor) & Kato, T. (Contributor), Cambridge Crystallographic Data Centre, 1 Jun 2023

  DOI: 10.5517/ccdc.csd.cc2c1rbj, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2c1rbj&sid=DataCite

  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

• CCDC 2101057: Experimental Crystal Structure Determination

  Sánchez-Férez, F. (Creator), Solans Monfort, X. (Contributor), Calvet, T. (Contributor), Font-Bardia, M. (Contributor) & Pons Picart, J. (Contributor), Cambridge Crystallographic Data Centre, 3 Aug 2021

  DOI: 10.5517/ccdc.csd.cc28jb16, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc28jb16&sid=DataCite

  Dataset

• CCDC 2012991: Experimental Crystal Structure Determination

  Sánchez-Férez, F. (Creator), Solans Monfort, X. (Contributor), Calvet, T. (Contributor), Font-Bardia, M. (Contributor) & Pons Picart, J. (Contributor), Cambridge Crystallographic Data Centre, 29 Jun 2020

  DOI: 10.5517/ccdc.csd.cc25kp6n, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc25kp6n&sid=DataCite

  Dataset

• CCDC 2101058: Experimental Crystal Structure Determination

  Sánchez-Férez, F. (Creator), Solans Monfort, X. (Contributor), Calvet, T. (Contributor), Font-Bardia, M. (Contributor) & Pons Picart, J. (Contributor), Cambridge Crystallographic Data Centre, 3 Aug 2021

  DOI: 10.5517/ccdc.csd.cc28jb27, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc28jb27&sid=DataCite

  Dataset

• CCDC 2012992: Experimental Crystal Structure Determination

  Sánchez-Férez, F. (Creator), Solans Monfort, X. (Contributor), Calvet, T. (Contributor), Font-Bardia, M. (Contributor) & Pons Picart, J. (Contributor), Cambridge Crystallographic Data Centre, 29 Jun 2020

  DOI: 10.5517/ccdc.csd.cc25kp7p, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc25kp7p&sid=DataCite

  Dataset

• CCDC 2101056: Experimental Crystal Structure Determination

  Sánchez-Férez, F. (Creator), Solans Monfort, X. (Contributor), Calvet, T. (Contributor), Font-Bardia, M. (Contributor) & Pons Picart, J. (Contributor), Cambridge Crystallographic Data Centre, 3 Aug 2021

  DOI: 10.5517/ccdc.csd.cc28jb05, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc28jb05&sid=DataCite

  Dataset

• CCDC 129368: Experimental Crystal Structure Determination

  Estop, E. (Creator), Alvarez-Larena, A. (Creator), Belaaraj, A. (Creator), Solans Monfort, X. (Creator) & Labrador, M. (Creator), Cambridge Crystallographic Data Centre, 12 Mar 1998

  DOI: 10.5517/cc4bm57, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/cc4bm57&sid=DataCite

  Dataset