Browse Collection: https://iochembd.chem.ku.dk/browse/handle/100/5 2026-04-17T02:05:38Z metallacumulene_revtpss https://iochembd.chem.ku.dk/browse/handle/100/51 Title: metallacumulene_revtpss Authors: Bro-Jørgensen, William Description: Geometry optimization of the metallacumulene with revTPSS. cc-pVTZ on C, H and P; SDD on Ru 2021-08-06T19:21:23Z metallacumulene_wb97xd https://iochembd.chem.ku.dk/browse/handle/100/50 Title: metallacumulene_wb97xd Authors: Bro-Jørgensen, William Description: Geometry optimization of the metallacumulene with wb97X-D and cc-pVTZ on C, H and P; SDD on Ru 2021-08-06T19:21:21Z metallacumulene_hf https://iochembd.chem.ku.dk/browse/handle/100/49 Title: metallacumulene_hf Authors: Bro-Jørgensen, William Description: Geometry optimization of the metallacumulene with HF and cc-pVTZ on C, H and P; SDD on Ru 2021-08-06T19:21:18Z metallacumulene_dsd https://iochembd.chem.ku.dk/browse/handle/100/48 Title: metallacumulene_dsd Authors: Bro-Jørgensen, William Description: Single point calculation of the metallacumulene with DSDPBEP86 and cc-pVTZ on C, H and P; SDD on Ru 2021-08-06T19:21:15Z