https://iochem-bd.bsc.es/browse/handle/100/472160 Optimized_structures_for_Master_s_thesis 2026-04-07T20:20:28Z 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 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 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 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 2025-08-04T11:00:13Z