https://iochem-bd.bsc.es/browse/handle/100/478295 DEA_tC_Tautomer_Comparison Wed, 08 Apr 2026 01:33:01 GMT 2026-04-08T01:33:01Z https://iochem-bd.bsc.es/browse/handle/100/478322 Title: tC-DEA-T-like-TD-CAM-B3LYP-smd-H2O-d3bj-aug-ccpVTZ-abs Authors: Pearce, Harrison Abstract: B3LYP-D3(BJ)/cc-pVDZ/SMD optimized with implicit water solvent. TD-CAM-B3LYP-D3(BJ)/aug-cc-pVTZ/SMD single point absorbance. Sun, 14 Sep 2025 02:11:29 GMT https://iochem-bd.bsc.es/browse/handle/100/478322 2025-09-14T02:11:29Z https://iochem-bd.bsc.es/browse/handle/100/478321 Title: tC-DEA-T-like-TD-CAM-B3LYP-smd-H2O-d3bj-aug-ccpVDZ-abs Authors: Pearce, Harrison Abstract: B3LYP-D3(BJ)/cc-pVDZ/SMD optimized with implicit water solvent. TD-CAM-B3LYP-D3(BJ)/aug-cc-pVDZ/SMD single point absorbance. Sun, 14 Sep 2025 02:11:30 GMT https://iochem-bd.bsc.es/browse/handle/100/478321 2025-09-14T02:11:30Z https://iochem-bd.bsc.es/browse/handle/100/478320 Title: tC-DEA-T-like-TD-B3LYP-smd-H2O-d3bj-aug-ccpVTZ-abs Authors: Pearce, Harrison Abstract: B3LYP-D3(BJ)/cc-pVDZ/SMD optimized with implicit water solvent. TD-B3LYP-D3(BJ)/aug-cc-pVTZ/SMD single point absorbance. Sun, 14 Sep 2025 02:11:30 GMT https://iochem-bd.bsc.es/browse/handle/100/478320 2025-09-14T02:11:30Z https://iochem-bd.bsc.es/browse/handle/100/478319 Title: tC-DEA-T-like-TD-B3LYP-smd-H2O-d3bj-aug-ccpVDZ-abs Authors: Pearce, Harrison Abstract: B3LYP-D3(BJ)/cc-pVDZ/SMD optimized with implicit water solvent. TD-B3LYP-D3(BJ)/aug-cc-pVDZ/SMD single point absorbance. Sun, 14 Sep 2025 02:11:30 GMT https://iochem-bd.bsc.es/browse/handle/100/478319 2025-09-14T02:11:30Z