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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /9c-etjohnphos/9c-etjohnphos-42-p1 9c-etjohnphos-42-p1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2507.69493828; Eh | |||
 | 7-Aug-2024 | /3j-brettphos/3j-brettphos-06-c2-h2o 3j-brettphos-06-c2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2770.82960505; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-16-t2-h2o 2g-pcy3-16-t2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1962.04019263; Eh | |||
 | 7-Aug-2024 | /3j-brettphos/3j-brettphos-20-ts-t3-t4 3j-brettphos-20-ts-t3-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2518.70540069; Eh | |||
 | 6-Aug-2024 | /2f-pcpt3/2f-pcpt3-07-ts-c2-c3 2f-pcpt3-07-ts-c2-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1844.34572079; Eh | |||
 | 6-Aug-2024 | /2i-ptbu2cy/2i-ptbu2cy-01-rxt 2i-ptbu2cy-01-rxt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1731.15955326; Eh | |||
 | 6-Aug-2024 | /9c-etjohnphos/9c-etjohnphos-15-t2 9c-etjohnphos-15-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1801.26938276; Eh | |||
 | 6-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-06-c2-h2o 3r-adbrettphos-06-c2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3076.42224086; Eh | |||
 | 6-Aug-2024 | /9h-pme3/9h-pme3-11-c4 9h-pme3-11-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1123.86679219; Eh | |||
 | 7-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-06-c2-h2o 3d-cyjohnphos-06-c2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2189.09618481; Eh |
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