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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-Apr-2024 | tC-DEA+6H2O_tdpbe_augccpVDZ@ccpVDZ_smd | Pearce, Harrison | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBE1PBE; TD-FC | AUG-CC-PVDZ | -1732.1428863; Eh | |||
 | 18-Apr-2024 | tC-DEA+6H2O_tdpbe_ccpVTZ@ccpVDZ_smd | Pearce, Harrison | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBE1PBE; TD-FC | CC-PVTZ | -1732.4351823; Eh | |||
 | 18-Apr-2024 | tC-DEA+6H2O_tdpbe_tzvp_smd | Pearce, Harrison | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBE1PBE; TD-FC | TZVP | -1732.4143325; Eh | |||
 | 18-Apr-2024 | tC-DEA+6H2O_tdpbe_pc1_smd | Pearce, Harrison | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBE1PBE; TD-FC | GEN | -1731.6871725; Eh | |||
 | 18-Apr-2024 | tCo-CN+6H2O_tdpbe_augccpVDZ@ccpVDZ_smd | Pearce, Harrison | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBE1PBE; TD-FC | AUG-CC-PVDZ | -1289.0221417; Eh | |||
 | 18-Apr-2024 | tCo-CN+6H2O_tdpbe_ccpVTZ@ccpVDZ_smd | Pearce, Harrison | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBE1PBE; TD-FC | CC-PVTZ | -1289.2892614; Eh | |||
 | 18-Apr-2024 | tCo-CN+6H2O_tdpbe_tzvp_smd | Pearce, Harrison | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBE1PBE; TD-FC | TZVP | -1289.2799493; Eh | |||
 | 18-Apr-2024 | uracil+4H2O_tdpbe_augccpVDZ@ccpVDZ_smd | Pearce, Harrison | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBE1PBE; TD-FC | AUG-CC-PVDZ | -719.9680758; Eh | |||
 | 18-Apr-2024 | uracil+4H2O_tdpbe_ccpVTZ@ccpVDZ_smd | Pearce, Harrison | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBE1PBE; TD-FC | CC-PVTZ | -720.118792; Eh |
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