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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3b-potol3/3b-potol3-19-t3/3b-potol3-19-t3-opt 3b-potol3-19-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1816.89577140; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-99-lig/3p-sphos-99-lig-opt 3p-sphos-99-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1501.13697656; Eh | |||
 | 5-May-2025 | /3m-cyjohnphos/3m-cyjohnphos-6omee07-ts-ec2-ec3/3m-cyjohnphos-6omee07-ts-ec2-ec3-orcasp 3m_cyjohnphos_6omee07_ts_ec2_ec3 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2534.81651038; Eh | |||
 | 26-Jan-2025 | /3l-phdavephos/3l-phdavephos-14-ts-t1-t2/3l-phdavephos-14-ts-t1-t2-orcasp 3l-phdavephos-14-ts-t1-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2236.81985608; Eh | |||
 | 26-Jan-2025 | /9g-pet3/9g-pet3-00-lpdoh2/9g-pet3-00-lpdoh2-orcasp 9g-pet3-00-lpdoh2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1713.50286735; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-34-ya/3m-cyjohnphos-34-ya-orcasp 3m-cyjohnphos-34-ya-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2110.40833658; Eh | |||
 | 26-Jan-2025 | /3e-pcy3/3e-pcy3-05-c2/3e-pcy3-05-c2-orcasp 3e-pcy3-05-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1883.69871215; Eh | |||
 | 26-Jan-2025 | /3z-adjohnphos/3z-adjohnphos-12-ts-rxt-t1/3z-adjohnphos-12-ts-rxt-t1-opt 3z-adjohnphos-12-ts-rxt-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2421.83321258; Eh | |||
 | 5-May-2025 | /3t-tbujohnphos/3t-tbujohnphos-6cne14-et1/3t-tbujohnphos-6cne14-et1-opt 3t_tbujohnphos_6cne14_et1 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2284.44392222; Eh | |||
 | 26-Jan-2025 | /3d-pcpt3/3d-pcpt3-14-ts-t1-t2/3d-pcpt3-14-ts-t1-t2-opt 3d-pcpt3-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1767.98001976; Eh |
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