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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-24-t5 3o-tbubrettphos-24-t5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2613.31780351; Eh | |||
 | 6-Aug-2024 | /9e-pcbu3/9e-pcbu3-01-rxt 9e-pcbu3-01-rxt-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1648.48074778; Eh | |||
 | 6-Aug-2024 | /9c-etjohnphos/9c-etjohnphos-03-c1 9c-etjohnphos-03-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1799.34948383; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-13-t1 2j-ptbu3-13-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1652.06770567; Eh | |||
 | 6-Aug-2024 | /2d-potol3/2d-potol3-06-c2-h2o 2d-potol3-06-c2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2068.98346537; Eh | |||
 | 6-Aug-2024 | /9e-pcbu3/9e-pcbu3-12-ts-rxt-t1 9e-pcbu3-12-ts-rxt-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1650.20018852; Eh | |||
 | 6-Aug-2024 | /2d-potol3/2d-potol3-10-ts-c3-c4 2d-potol3-10-ts-c3-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1816.87387994; Eh | |||
 | 7-Aug-2024 | /3f-davephos/3f-davephos-00-lpdoh2 3f-davephos-00-lpdoh2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3371.20310306; Eh | |||
 | 7-Aug-2024 | /3g-sphos/3g-sphos-04-ts-c1-c2 3g-sphos-04-ts-c1-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2341.36727763; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-21-t4 2j-ptbu3-21-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1478.12883781; Eh |
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