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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6ome15-t2/3e-pcy3-6ome15-t2-orcasp 3e_pcy3_6ome15_t2 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1997.89085949; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6ome13-t1/3e-pcy3-6ome13-t1-orcasp 3e_pcy3_6ome13_t1 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1997.87854389; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6ome12-ts-rxt-t1/3e-pcy3-6ome12-ts-rxt-t1-opt 3e_pcy3_6ome12_ts_rxt_t1 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2000.02707981; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6ome10-ts-c3-c4/3e-pcy3-6ome10-ts-c3-c4-opt 3e_pcy3_6ome10_ts_c3_c4 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1824.28552127; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6ome11-c4/3e-pcy3-6ome11-c4-opt 3e_pcy3_6ome11_c4 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1824.30481632; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6ome09-c3/3e-pcy3-6ome09-c3-opt 3e_pcy3_6ome09_c3 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1824.32638725; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6ome13-t1/3e-pcy3-6ome13-t1-opt 3e_pcy3_6ome13_t1 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2000.03989073; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6ome12-ts-rxt-t1/3e-pcy3-6ome12-ts-rxt-t1-orcasp 3e_pcy3_6ome12_ts_rxt_t1 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1997.86382704; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6ome10-ts-c3-c4/3e-pcy3-6ome10-ts-c3-c4-orcasp 3e_pcy3_6ome10_ts_c3_c4 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1822.19045920; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6ome11-c4/3e-pcy3-6ome11-c4-orcasp 3e_pcy3_6ome11_c4 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1822.20834783; Eh |
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