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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3p-sphos/3p-sphos-21-t4/3p-sphos-21-t4-opt 3p-sphos-21-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2165.65118903; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-23-ts-c5-c6/3p-sphos-23-ts-c5-c6-orcasp 3p-sphos-23-ts-c5-c6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2415.10590649; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-22-c5/3p-sphos-22-c5-orcasp 3p-sphos-22-c5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2415.16689453; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-24-t5/3p-sphos-24-t5-orcasp 3p-sphos-24-t5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2415.11979083; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-21-t4/3p-sphos-21-t4-orcasp 3p-sphos-21-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2163.21908336; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-17-ts-t2-t3/3p-sphos-17-ts-t2-t3-opt 3p-sphos-17-ts-t2-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2417.68220140; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-20-ts-t3-t4/3p-sphos-20-ts-t3-t4-opt 3p-sphos-20-ts-t3-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2165.61844646; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-18-t3-boh3/3p-sphos-18-t3-boh3-opt 3p-sphos-18-t3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2417.70554023; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-19-t3/3p-sphos-19-t3-opt 3p-sphos-19-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2165.64553215; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-17-ts-t2-t3/3p-sphos-17-ts-t2-t3-orcasp 3p-sphos-17-ts-t2-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2415.12449371; Eh |
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