https://iochembd.chem.ku.dk/browse/handle/100/5 Fri, 17 Apr 2026 02:05:38 GMT 2026-04-17T02:05:38Z 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 Fri, 06 Aug 2021 19:21:23 GMT https://iochembd.chem.ku.dk/browse/handle/100/51 2021-08-06T19:21:23Z 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 Fri, 06 Aug 2021 19:21:21 GMT https://iochembd.chem.ku.dk/browse/handle/100/50 2021-08-06T19:21:21Z 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 Fri, 06 Aug 2021 19:21:18 GMT https://iochembd.chem.ku.dk/browse/handle/100/49 2021-08-06T19:21:18Z 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 Fri, 06 Aug 2021 19:21:15 GMT https://iochembd.chem.ku.dk/browse/handle/100/48 2021-08-06T19:21:15Z