https://iochem-bd.bsc.es/browse/handle/100/472160 Optimized_structures_for_Master_s_thesis Wed, 08 Apr 2026 01:33:02 GMT 2026-04-08T01:33:02Z https://iochem-bd.bsc.es/browse/handle/100/472310 Title: Suh-Pd-2_-_formate-complex_in_toluene_-_single-point_energy_calc Authors: Hernæs Norheim, Eri Karoline Abstract: Pd^II-PCP(Me)_2 - formate-complex - SP-energy: PBE0-D3BJ/aug-cc-pVTZ/LanL2TZ(f):Pd/CPCM:Toluene - opt/freq: PBE0-D3BJ/def2-SVP/LanL2TZ:Pd/CPCM:Toluene Mon, 04 Aug 2025 11:00:12 GMT https://iochem-bd.bsc.es/browse/handle/100/472310 2025-08-04T11:00:12Z https://iochem-bd.bsc.es/browse/handle/100/472309 Title: Suh-Pd-2_-_formate-complex_in_THF_-_single-point_energy_calculat Authors: Hernæs Norheim, Eri Karoline Abstract: Pd^II-PCP(Me)_2 - formate-complex - SP-energy: PBE0-D3BJ/aug-cc-pVTZ/LanL2TZ(f):Pd/CPCM:THF - opt/freq: PBE0-D3BJ/def2-SVP/LanL2TZ:Pd/CPCM:THF Mon, 04 Aug 2025 11:00:12 GMT https://iochem-bd.bsc.es/browse/handle/100/472309 2025-08-04T11:00:12Z https://iochem-bd.bsc.es/browse/handle/100/472308 Title: Suh-Pd-2_-_formate-complex_in_CH3CN_-_single-point_energy_calcul Authors: Hernæs Norheim, Eri Karoline Abstract: Pd^II-PCP(Me)_2 - formate-complex - SP-energy: PBE0-D3BJ/aug-cc-pVTZ/LanL2TZ(f):Pd/CPCM:CH3CN - opt/freq: PBE0-D3BJ/def2-SVP/LanL2TZ:Pd/CPCM:CH3CN Mon, 04 Aug 2025 11:00:12 GMT https://iochem-bd.bsc.es/browse/handle/100/472308 2025-08-04T11:00:12Z https://iochem-bd.bsc.es/browse/handle/100/472307 Title: Suh-Pd-2_-_formate-complex_in_water_-_single-point_energy_calcul Authors: Hernæs Norheim, Eri Karoline Abstract: Pd^II-PCP(Me)_2 - formate-complex - SP-energy: PBE0-D3BJ/aug-cc-pVTZ/LanL2TZ(f):Pd/CPCM:Water - opt/freq: PBE0-D3BJ/def2-SVP/LanL2TZ:Pd/CPCM:Water Mon, 04 Aug 2025 11:00:13 GMT https://iochem-bd.bsc.es/browse/handle/100/472307 2025-08-04T11:00:13Z