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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-14-ts-t1-t2/3n-cymephos-14-ts-t1-t2-opt 3n-cymephos-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2151.96625297; Eh | |||
 | 26-Jan-2025 | /3d-pcpt3/3d-pcpt3-10-ts-c3-c4/3d-pcpt3-10-ts-c3-c4-opt 3d-pcpt3-10-ts-c3-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1592.24499978; Eh | |||
 | 26-Jan-2025 | /3z-adjohnphos/3z-adjohnphos-11-c4/3z-adjohnphos-11-c4-opt 3z-adjohnphos-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2246.10224655; Eh | |||
 | 5-May-2025 | /3m-cyjohnphos/3m-cyjohnphos-6cne07-ts-ec2-ec3/3m-cyjohnphos-6cne07-ts-ec2-ec3-orcasp 3m_cyjohnphos_6cne07_ts_ec2_ec3 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2512.59649081; Eh | |||
 | 5-May-2025 | /3m-cyjohnphos/3m-cyjohnphos-6cn05-c2/3m-cyjohnphos-6cn05-c2-orcasp 3m_cyjohnphos_6cn05_c2 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2202.47124059; Eh | |||
 | 26-Jan-2025 | /9d-mejohnphos/9d-mejohnphos-15-t2/9d-mejohnphos-15-t2-orcasp 9d-mejohnphos-15-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1721.02584373; Eh | |||
 | 26-Jan-2025 | /9f-pcpr3/9f-pcpr3-99-lig/9f-pcpr3-99-lig-orcasp 9f-pcpr3-99-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -691.80855430; Eh | |||
 | 26-Jan-2025 | /3y-me4tbuxphos/3y-me4tbuxphos-81-t6ob-1h2o/3y-me4tbuxphos-81-t6ob-1h2o-opt 3y-me4tbuxphos-81-t6ob-1h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2235.67310852; Eh | |||
 | 5-May-2025 | /3t-tbujohnphos/3t-tbujohnphos-6cn07-ts-c2-c3/3t-tbujohnphos-6cn07-ts-c2-c3-opt 3t_tbujohnphos_6cn07_ts_c2_c3 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2126.58903578; Eh | |||
 | 5-May-2025 | /3h-ptbu3/3h-ptbu3-6ome20-ts-t3-t4/3h-ptbu3-6ome20-ts-t3-t4-opt 3h_ptbu3_6ome20_ts_t3_t4 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1592.41849811; Eh |
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