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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-pcy3-6omee04-ts-ec1-ec2/3e-pcy3-6omee04-ts-ec1-ec2-orcasp 3e_pcy3_6omee04_ts_ec1_ec2 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2231.72644353; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6omee01-ecrxt/3e-pcy3-6omee01-ecrxt-orcasp 3e_pcy3_6omee01_ecrxt | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2231.74564016; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6omee05-ec2/3e-pcy3-6omee05-ec2-orcasp 3e_pcy3_6omee05_ec2 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2231.79197137; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6omee03-ec1/3e-pcy3-6omee03-ec1-orcasp 3e_pcy3_6omee03_ec1 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2231.72532995; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6ome20-ts-t3-t4/3e-pcy3-6ome20-ts-t3-t4-opt 3e_pcy3_6ome20_ts_t3_t4 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1824.27384082; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6ome18-t3-boh3/3e-pcy3-6ome18-t3-boh3-opt 3e_pcy3_6ome18_t3_boh3 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2076.35621408; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6omee01-ecrxt/3e-pcy3-6omee01-ecrxt-opt 3e_pcy3_6omee01_ecrxt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2234.23335199; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6ome21-t4/3e-pcy3-6ome21-t4-opt 3e_pcy3_6ome21_t4 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1824.30232797; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6ome19-t3/3e-pcy3-6ome19-t3-opt 3e_pcy3_6ome19_t3 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1824.29327411; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6ome20-ts-t3-t4/3e-pcy3-6ome20-ts-t3-t4-orcasp 3e_pcy3_6ome20_ts_t3_t4 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1822.17904235; Eh |
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