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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-pcy3-6cn10-ts-c3-c4/3e-pcy3-6cn10-ts-c3-c4-orcasp 3e_pcy3_6cn10_ts_c3_c4 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1799.96384285; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6cn11-c4/3e-pcy3-6cn11-c4-orcasp 3e_pcy3_6cn11_c4 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1799.98134962; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6cn13-t1/3e-pcy3-6cn13-t1-orcasp 3e_pcy3_6cn13_t1 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1975.65343822; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6cn06-c2-h2o/3e-pcy3-6cn06-c2-h2o-opt 3e_pcy3_6cn06_c2_h2o | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2054.14956287; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6cn07-ts-c2-c3/3e-pcy3-6cn07-ts-c2-c3-opt 3e_pcy3_6cn07_ts_c2_c3 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2054.14276677; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6cn08-c3-boh3/3e-pcy3-6cn08-c3-boh3-opt 3e_pcy3_6cn08_c3_boh3 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2054.15617935; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6cn09-c3/3e-pcy3-6cn09-c3-opt 3e_pcy3_6cn09_c3 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1802.09003286; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6cn07-ts-c2-c3/3e-pcy3-6cn07-ts-c2-c3-orcasp 3e_pcy3_6cn07_ts_c2_c3 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2051.95320247; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6cn06-c2-h2o/3e-pcy3-6cn06-c2-h2o-orcasp 3e_pcy3_6cn06_c2_h2o | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2051.96501762; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6cn08-c3-boh3/3e-pcy3-6cn08-c3-boh3-orcasp 3e_pcy3_6cn08_c3_boh3 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2051.96409788; Eh |
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