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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3f-pcy2tbu/3f-pcy2tbu-14-ts-t1-t2/3f-pcy2tbu-14-ts-t1-t2-opt 3f-pcy2tbu-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1808.42427892; Eh | |||
 | 26-Jan-2025 | /3f-pcy2tbu/3f-pcy2tbu-15-t2/3f-pcy2tbu-15-t2-opt 3f-pcy2tbu-15-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1808.44939758; Eh | |||
 | 26-Jan-2025 | /3f-pcy2tbu/3f-pcy2tbu-13-t1/3f-pcy2tbu-13-t1-opt 3f-pcy2tbu-13-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1808.44013263; Eh | |||
 | 26-Jan-2025 | /3f-pcy2tbu/3f-pcy2tbu-12-ts-rxt-t1/3f-pcy2tbu-12-ts-rxt-t1-orcasp 3f-pcy2tbu-12-ts-rxt-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1806.44675470; Eh | |||
 | 26-Jan-2025 | /3f-pcy2tbu/3f-pcy2tbu-14-ts-t1-t2/3f-pcy2tbu-14-ts-t1-t2-orcasp 3f-pcy2tbu-14-ts-t1-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1806.44416122; Eh | |||
 | 26-Jan-2025 | /3f-pcy2tbu/3f-pcy2tbu-11-c4/3f-pcy2tbu-11-c4-orcasp 3f-pcy2tbu-11-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1630.78305210; Eh | |||
 | 26-Jan-2025 | /3f-pcy2tbu/3f-pcy2tbu-15-t2/3f-pcy2tbu-15-t2-orcasp 3f-pcy2tbu-15-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1806.47474888; Eh | |||
 | 26-Jan-2025 | /3f-pcy2tbu/3f-pcy2tbu-13-t1/3f-pcy2tbu-13-t1-orcasp 3f-pcy2tbu-13-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1806.45752321; Eh | |||
 | 26-Jan-2025 | /3f-pcy2tbu/3f-pcy2tbu-07-ts-c2-c3/3f-pcy2tbu-07-ts-c2-c3-opt 3f-pcy2tbu-07-ts-c2-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1884.78362063; Eh | |||
 | 26-Jan-2025 | /3f-pcy2tbu/3f-pcy2tbu-10-ts-c3-c4/3f-pcy2tbu-10-ts-c3-c4-opt 3f-pcy2tbu-10-ts-c3-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1632.68444832; Eh |
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