Browse Collection: https://iochembd.chem.ku.dk/browse/handle/100/5 2026-04-17T02:05:38Z 2026-04-17T02:05:38Z metallacumulene_revtpss Bro-Jørgensen, William https://iochembd.chem.ku.dk/browse/handle/100/51 2021-08-25T09:32:54Z 2021-08-06T19:21:23Z 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 Bro-Jørgensen, William https://iochembd.chem.ku.dk/browse/handle/100/50 2021-08-25T09:32:54Z 2021-08-06T19:21:21Z 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 Bro-Jørgensen, William https://iochembd.chem.ku.dk/browse/handle/100/49 2021-08-25T09:32:54Z 2021-08-06T19:21:18Z 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 Bro-Jørgensen, William https://iochembd.chem.ku.dk/browse/handle/100/48 2021-08-25T09:32:54Z 2021-08-06T19:21:15Z 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