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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3z-adjohnphos/3z-adjohnphos-19-t3/3z-adjohnphos-19-t3-opt 3z-adjohnphos-19-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2246.11411352; Eh | |||
 | 26-Jan-2025 | /3z-adjohnphos/3z-adjohnphos-20-ts-t3-t4/3z-adjohnphos-20-ts-t3-t4-orcasp 3z-adjohnphos-20-ts-t3-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2243.41795692; Eh | |||
 | 26-Jan-2025 | /3z-adjohnphos/3z-adjohnphos-22-c5/3z-adjohnphos-22-c5-orcasp 3z-adjohnphos-22-c5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2495.39224480; Eh | |||
 | 26-Jan-2025 | /3z-adjohnphos/3z-adjohnphos-21-t4/3z-adjohnphos-21-t4-orcasp 3z-adjohnphos-21-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2243.45716862; Eh | |||
 | 26-Jan-2025 | /3z-adjohnphos/3z-adjohnphos-19-t3/3z-adjohnphos-19-t3-orcasp 3z-adjohnphos-19-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2243.45868133; Eh | |||
 | 26-Jan-2025 | /3z-adjohnphos/3z-adjohnphos-17-ts-t2-t3/3z-adjohnphos-17-ts-t2-t3-opt 3z-adjohnphos-17-ts-t2-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2498.14596922; Eh | |||
 | 26-Jan-2025 | /3z-adjohnphos/3z-adjohnphos-16-t2-h2o/3z-adjohnphos-16-t2-h2o-opt 3z-adjohnphos-16-t2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2498.17169669; Eh | |||
 | 26-Jan-2025 | /3z-adjohnphos/3z-adjohnphos-18-t3-boh3/3z-adjohnphos-18-t3-boh3-opt 3z-adjohnphos-18-t3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2498.16835030; Eh | |||
 | 26-Jan-2025 | /3z-adjohnphos/3z-adjohnphos-15-t2/3z-adjohnphos-15-t2-opt 3z-adjohnphos-15-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2421.86489989; Eh | |||
 | 26-Jan-2025 | /3z-adjohnphos/3z-adjohnphos-14-ts-t1-t2/3z-adjohnphos-14-ts-t1-t2-orcasp 3z-adjohnphos-14-ts-t1-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2419.08759994; Eh |
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