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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /2c-pph3/2c-pph3-15-t2 2c-pph3-15-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1874.93648084; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-77-ts-hc2-hc3 2j-ptbu3-77-ts-hc2-hc3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1960.46699384; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-20-ts-t3-t4 3d-cyjohnphos-20-ts-t3-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1934.72646071; Eh | |||
 | 6-Aug-2024 | /3b-phjohnphos/3b-phjohnphos-10-ts-c3-c4 3b-phjohnphos-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1927.60765895; Eh | |||
 | 6-Aug-2024 | /3q-adjohnphos/3q-adjohnphos-05-c2 3q-adjohnphos-05-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2419.14993101; Eh | |||
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-42-p1 3a-iprjohnphos-42-p1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2664.36512026; Eh | |||
 | 6-Aug-2024 | /9b-cptjohnphos/9b-cptjohnphos-13-t1 9b-cptjohnphos-13-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2032.04668493; Eh | |||
 | 6-Aug-2024 | /9e-pcbu3/9e-pcbu3-19-t3 9e-pcbu3-19-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1472.81864033; Eh | |||
 | 6-Aug-2024 | /9c-etjohnphos/9c-etjohnphos-14-ts-t1-t2 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 | |||
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-15-t2 3a-iprjohnphos-15-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1879.73524852; Eh |
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