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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3t-tbujohnphos/3t-tbujohnphos-22-c5/3t-tbujohnphos-22-c5-orcasp 3t-tbujohnphos-22-c5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2032.32002591; Eh | |||
 | 26-Jan-2025 | /3t-tbujohnphos/3t-tbujohnphos-24-t5/3t-tbujohnphos-24-t5-orcasp 3t-tbujohnphos-24-t5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2032.28783264; Eh | |||
 | 26-Jan-2025 | /3t-tbujohnphos/3t-tbujohnphos-20-ts-t3-t4/3t-tbujohnphos-20-ts-t3-t4-opt 3t-tbujohnphos-20-ts-t3-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1782.41220158; Eh | |||
 | 26-Jan-2025 | /3t-tbujohnphos/3t-tbujohnphos-18-t3-boh3/3t-tbujohnphos-18-t3-boh3-opt 3t-tbujohnphos-18-t3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2034.49174556; Eh | |||
 | 26-Jan-2025 | /3t-tbujohnphos/3t-tbujohnphos-22-c5/3t-tbujohnphos-22-c5-opt 3t-tbujohnphos-22-c5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2034.51283286; Eh | |||
 | 26-Jan-2025 | /3t-tbujohnphos/3t-tbujohnphos-21-t4/3t-tbujohnphos-21-t4-opt 3t-tbujohnphos-21-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1782.44186904; Eh | |||
 | 26-Jan-2025 | /3t-tbujohnphos/3t-tbujohnphos-19-t3/3t-tbujohnphos-19-t3-opt 3t-tbujohnphos-19-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1782.43908108; Eh | |||
 | 26-Jan-2025 | /3t-tbujohnphos/3t-tbujohnphos-20-ts-t3-t4/3t-tbujohnphos-20-ts-t3-t4-orcasp 3t-tbujohnphos-20-ts-t3-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1780.34478531; Eh | |||
 | 26-Jan-2025 | /3t-tbujohnphos/3t-tbujohnphos-18-t3-boh3/3t-tbujohnphos-18-t3-boh3-orcasp 3t-tbujohnphos-18-t3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2032.30527819; Eh | |||
 | 26-Jan-2025 | /3t-tbujohnphos/3t-tbujohnphos-21-t4/3t-tbujohnphos-21-t4-orcasp 3t-tbujohnphos-21-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1780.38137841; Eh |
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