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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /9c-etjohnphos/9c-etjohnphos-20-ts-t3-t4/9c-etjohnphos-20-ts-t3-t4-orcasp 9c-etjohnphos-20-ts-t3-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1623.66603296; Eh | |||
 | 26-Jan-2025 | /9c-etjohnphos/9c-etjohnphos-18-t3-boh3/9c-etjohnphos-18-t3-boh3-orcasp 9c-etjohnphos-18-t3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1875.64155631; Eh | |||
 | 26-Jan-2025 | /9c-etjohnphos/9c-etjohnphos-21-t4/9c-etjohnphos-21-t4-orcasp 9c-etjohnphos-21-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1623.70583481; Eh | |||
 | 26-Jan-2025 | /9c-etjohnphos/9c-etjohnphos-19-t3/9c-etjohnphos-19-t3-orcasp 9c-etjohnphos-19-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1623.70666544; Eh | |||
 | 26-Jan-2025 | /9c-etjohnphos/9c-etjohnphos-17-ts-t2-t3/9c-etjohnphos-17-ts-t2-t3-opt 9c-etjohnphos-17-ts-t2-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1877.55463165; Eh | |||
 | 26-Jan-2025 | /9c-etjohnphos/9c-etjohnphos-14-ts-t1-t2/9c-etjohnphos-14-ts-t1-t2-opt 9c-etjohnphos-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1801.24077069; Eh | |||
 | 26-Jan-2025 | /9c-etjohnphos/9c-etjohnphos-16-t2-h2o/9c-etjohnphos-16-t2-h2o-opt 9c-etjohnphos-16-t2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1877.57935960; Eh | |||
 | 26-Jan-2025 | /9c-etjohnphos/9c-etjohnphos-13-t1/9c-etjohnphos-13-t1-opt 9c-etjohnphos-13-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1801.25564688; Eh | |||
 | 26-Jan-2025 | /9c-etjohnphos/9c-etjohnphos-15-t2/9c-etjohnphos-15-t2-opt 9c-etjohnphos-15-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1801.26938276; Eh | |||
 | 26-Jan-2025 | /9c-etjohnphos/9c-etjohnphos-14-ts-t1-t2/9c-etjohnphos-14-ts-t1-t2-orcasp 9c-etjohnphos-14-ts-t1-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1799.33754213; Eh |
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