Browse Collection: DEA_tC_Tautomer_Comparison
https://iochem-bd.bsc.es/browse/handle/100/478295
DEA_tC_Tautomer_Comparison2026-04-07T20:20:27ZtC-DEA-T-like-TD-CAM-B3LYP-smd-H2O-d3bj-aug-ccpVTZ-abs
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.2025-09-14T02:11:29ZtC-DEA-T-like-TD-CAM-B3LYP-smd-H2O-d3bj-aug-ccpVDZ-abs
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.2025-09-14T02:11:30ZtC-DEA-T-like-TD-B3LYP-smd-H2O-d3bj-aug-ccpVTZ-abs
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.2025-09-14T02:11:30ZtC-DEA-T-like-TD-B3LYP-smd-H2O-d3bj-aug-ccpVDZ-abs
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.2025-09-14T02:11:30Z