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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-pcy3-6cne18-ts-et2-et3/3e-pcy3-6cne18-ts-et2-et3-opt 3e_pcy3_6cne18_ts_et2_et3 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2288.28386258; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6cne17-et2-h2o/3e-pcy3-6cne17-et2-h2o-opt 3e_pcy3_6cne17_et2_h2o | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2288.30624434; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6cne16-et2/3e-pcy3-6cne16-et2-opt 3e_pcy3_6cne16_et2 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2211.99517103; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6cne18-ts-et2-et3/3e-pcy3-6cne18-ts-et2-et3-orcasp 3e_pcy3_6cne18_ts_et2_et3 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2285.76917907; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6cne15-ts-et1-et2/3e-pcy3-6cne15-ts-et1-et2-orcasp 3e_pcy3_6cne15_ts_et1_et2 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2209.50557898; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6cne17-et2-h2o/3e-pcy3-6cne17-et2-h2o-orcasp 3e_pcy3_6cne17_et2_h2o | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2285.79249288; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6cne14-et1/3e-pcy3-6cne14-et1-orcasp 3e_pcy3_6cne14_et1 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2209.52224793; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6cne16-et2/3e-pcy3-6cne16-et2-orcasp 3e_pcy3_6cne16_et2 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2209.53098982; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6cne13-ts-etrxt-et1/3e-pcy3-6cne13-ts-etrxt-et1-opt 3e_pcy3_6cne13_ts_etrxt_et1 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2211.98391005; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6cne07-ts-ec2-ec3/3e-pcy3-6cne07-ts-ec2-ec3-opt 3e_pcy3_6cne07_ts_ec2_ec3 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2288.33931350; Eh |
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