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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-11-c4 3a-iprjohnphos-11-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1702.03097732; Eh | |||
 | 6-Aug-2024 | /base-reactants/base-reactants-koh base-reactants-koh-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -675.25644325; Eh | |||
 | 7-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-06-c2-h2o 3n-tbuxphos-06-c2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2387.61116597; Eh | |||
 | 7-Aug-2024 | /3i-xphos/3i-xphos-18-t3-boh3 3i-xphos-18-t3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2542.17979363; Eh | |||
 | 6-Aug-2024 | /9e-pcbu3/9e-pcbu3-03-c1 9e-pcbu3-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1650.21362128; Eh | |||
 | 6-Aug-2024 | /3m-tbudavephos/3m-tbudavephos-17-ts-t2-t3 3m-tbudavephos-17-ts-t2-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2165.81805615; Eh | |||
 | 6-Aug-2024 | /2k-pad3/2k-pad3-16-t2-h2o 2k-pad3-16-t2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2422.94878613; Eh | |||
 | 6-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-24-t5 3k-tbujohnphos-24-t5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2032.28783264; Eh | |||
 | 6-Aug-2024 | /9d-mejohnphos/9d-mejohnphos-42-p1 9d-mejohnphos-42-p1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2350.99705995; Eh | |||
 | 6-Aug-2024 | /3e-cymephos/3e-cymephos-19-t3 3e-cymephos-19-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1973.94737657; Eh |
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