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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_ccpVDZ_smd | Pearce, Harrison | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE; TD-FC | CC-PVDZ | -1732.0133214; Eh | |||
 | 18-Apr-2024 | tCo-CN+6H2O_tdpbe_ccpVDZ_smd | Pearce, Harrison | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE; TD-FC | CC-PVDZ | -1288.899931; Eh | |||
 | 18-Apr-2024 | tCo-CN+6H2O_tdpbe_pc1_smd | Pearce, Harrison | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE; TD-FC | GEN | -1288.5783945; Eh | |||
 | 18-Apr-2024 | uracil+4H2O_tdpbe_ccpVDZ_smd | Pearce, Harrison | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE; TD-FC | CC-PVDZ | -719.882334; Eh | |||
 | 18-Apr-2024 | uracil+4H2O_tdpbe_tzvp_smd | Pearce, Harrison | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE; TD-FC | TZVP | -720.1190772; Eh | |||
 | 18-Apr-2024 | uracil+4H2O_tdpbe_pc1_smd | Pearce, Harrison | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE; TD-FC | GEN | -719.7127201; Eh |
Results 1-6 of 6 (Search time: 0.001 seconds).