Department of Physics, Chemistry and Pharmacy

Search results

• Replication Data for: Exact two-component Hamiltonians for relativistic quantum chemistry: Two-electron picture-change corrections made simple

  Knecht, S. (Creator), Repisky, M. (Creator), Jensen, H. J. A. (Creator) & Saue, T. (Creator), Zenodo, 6. Apr 2022

  DOI: 10.5281/zenodo.6414910

  Dataset

• Dataset for the tutorial: "Response properties of embedded molecules through the polarizable embedding model"

  Steinmann, C. (Creator), Reinholdt, P. (Creator), Nørby, M. S. (Creator), Kongsted, J. (Creator) & Olsen, J. M. H. (Creator), Zenodo, 6. Apr 2018

  DOI: 10.5281/zenodo.1212345

  Dataset

• MD simulation trajectory and related files for POPC bilayer with 30 mol% of deprotonated pazePC (Berger, Gromacs 4.5.)

  Ollila, S. (Creator) & Khandelia, H. (Creator), Zenodo, 12. Jan 2016

  DOI: 10.5281/zenodo.44622

  Dataset

• Data from: Accelerated redevelopment of vocal skills is preceded by lasting reorganization of the song motor circuitry

  Vellema, M. (Creator), Diales Rocha, M. (Creator), Bascones, S. (Creator), Zsebok, S. (Creator), Dreier, J. (Creator), Leitner, S. (Creator), Van der Linden, A. (Creator), Brewer, J. (Creator) & Gahr, M. (Creator), Dryad Digital Repository, 23. May 2019

  DOI: 10.5061/dryad.kb814nh, https://zenodo.org/record/5005724

  Dataset

• Optical data for Cu2O, CuO and Cu in the 1 eV to ~ 100 eV energy range

  Tahir, D. (Creator) & Tougaard, S. M. (Creator), Zenodo, 23. Feb 2023

  DOI: 10.5281/zenodo.7669849

  Dataset

• MC--srDFT spin-spin coupling constants input files for Dalton

  Kjellgren, E. (Creator), Zenodo, 4. Jun 2021

  DOI: 10.5281/zenodo.4899982, https://zenodo.org/record/4899982

  Dataset

• ELF dielectric functions for various materials

  Yubero, F. (Creator), Pauly, N. (Creator) & Tougaard, S. (Contributor), Zenodo, 9. Feb 2022

  DOI: 10.5281/zenodo.6024064

  Dataset

• Input files for "Faster Simulations with a 5 fs Time Step for Lipids in the CHARMM Force Field"

  Olesen, K. (Creator) & Khandelia, H. (Creator), Zenodo, 31. May 2018

  DOI: 10.5281/zenodo.1240161, https://zenodo.org/record/1240161

  Dataset

• Dataset: Implementation of relativistic coupled cluster theory for massively parallel GPU-accelerated computing architectures

  Pototschnig, J. V. (Creator), Papadopoulos, A. (Creator), Lyakh, D. I. (Creator), Repisky, M. (Creator), Halbert, L. (Creator), Gomes, A. S. P. (Creator), Jensen, H. J. A. (Creator) & Visscher, L. (Creator), Zenodo, 9. Mar 2021

  DOI: 10.5281/zenodo.4589358

  Dataset

• MM-MD and QM/MM-MD trajectories of para-nitrophenolate derivatives in aqueous solution

  Kjellgren, E. (Creator), Zenodo, 7. Nov 2017

  DOI: 10.5281/zenodo.1043593

  Dataset

• Equilibrated Kremer-Grest polymer melts of M=500 linear chains with Z=100 entanglements for varying chain stiffness

  Carsten, S. (Creator) & Everaers, R. (Creator), Zenodo, 1. Feb 2023

  DOI: 10.5281/zenodo.7319837

  Dataset

• Data files for Constraints on axionlike particles from a combined analysis of three flaring Fermi flat-spectrum radio quasars

  Davies, J. (Creator), Meyer, M. (Creator) & Cotter, G. (Creator), Zenodo, 26. Jan 2023

  DOI: 10.5281/zenodo.7573123

  Dataset

• Calcium Affects Polyphosphate and Lipid Accumulation in Mucoromycota Fungi. Dataset

  Dzurendova, S. (Creator), Zimmermann, B. (Creator), Kohler, A. (Creator), Reitzel, K. (Creator), Gro Nielsen, U. (Creator), Dupuy--Gallet, B. X. (Creator), Leivers, S. (Creator), Horn, S. J. (Creator) & Shapaval, V. (Creator), Zenodo, 17. Mar 2022

  DOI: 10.5281/zenodo.6365969

  Dataset

• Data and supplementary materials in support of "Development and Preliminary Validation of an Open Access, Open Data and Open Outreach Indicator"

  Vlachos, E. (Creator), Ejstrup, R. (Creator), Drachen, T. M. (Creator) & Dorch, B. F. (Creator), Zenodo, 22. Jun 2023

  DOI: 10.5281/zenodo.8082868, https://doi.org/10.5281/zenodo.8082868

  Dataset

• Embedding potentials of aqueous acrolein

  Hršak, D. (Creator), Olsen, J. M. H. (Creator) & Kongsted, J. (Creator), Zenodo, 16. Jan 2018

  DOI: 10.5281/zenodo.1149061, https://zenodo.org/record/1149061

  Dataset

• Controlled multi-photon subtraction with cascaded Rydberg superatoms as single-photon absorbers

  Stiesdal, N. (Creator), Busche, H. (Creator), Kleinbeck, K. (Creator), Kumlin, J. (Creator), Hansen, M. G. (Creator), Büchler, H. P. (Creator) & Hofferberth, S. (Creator), Zenodo, 18. Jun 2021

  DOI: 10.5281/zenodo.4984099

  Dataset

• Equilibrated Kremer-Grest polymer melts of M=1000 linear chains with Z=200 entanglements for varying chain stiffness

  Svaneborg, C. (Creator) & Eveaers, R. (Creator), Zenodo, 1. Feb 2023

  DOI: 10.5281/zenodo.7034881

  Dataset