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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-pcy3-6ome02-ts-rxt-c1/3e-pcy3-6ome02-ts-rxt-c1-opt 3e_pcy3_6ome02_ts_rxt_c1 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2000.01954077; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6cne19-et3-bpinoh/3e-pcy3-6cne19-et3-bpinoh-opt 3e_pcy3_6cne19_et3_bpinoh | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2288.31710433; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6ome04-ts-c1-c2/3e-pcy3-6ome04-ts-c1-c2-opt 3e_pcy3_6ome04_ts_c1_c2 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2000.03189836; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6ome01-rxt/3e-pcy3-6ome01-rxt-opt 3e_pcy3_6ome01_rxt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2000.04522545; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6ome03-c1/3e-pcy3-6ome03-c1-opt 3e_pcy3_6ome03_c1 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2000.03715760; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6ome02-ts-rxt-c1/3e-pcy3-6ome02-ts-rxt-c1-orcasp 3e_pcy3_6ome02_ts_rxt_c1 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1997.85493126; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6cne19-et3-bpinoh/3e-pcy3-6cne19-et3-bpinoh-orcasp 3e_pcy3_6cne19_et3_bpinoh | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2285.79666018; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6ome01-rxt/3e-pcy3-6ome01-rxt-orcasp 3e_pcy3_6ome01_rxt | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1997.88810366; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6ome03-c1/3e-pcy3-6ome03-c1-orcasp 3e_pcy3_6ome03_c1 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1997.86579382; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6cne15-ts-et1-et2/3e-pcy3-6cne15-ts-et1-et2-opt 3e_pcy3_6cne15_ts_et1_et2 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2211.97530008; Eh |
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