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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /9b-cptjohnphos/9b-cptjohnphos-17-ts-t2-t3 9b-cptjohnphos-17-ts-t2-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2110.56052388; Eh | |||
 | 6-Aug-2024 | /9d-mejohnphos/9d-mejohnphos-12-ts-rxt-t1 9d-mejohnphos-12-ts-rxt-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1722.77681155; Eh | |||
 | 6-Aug-2024 | /9e-pcbu3/9e-pcbu3-11-c4 9e-pcbu3-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1474.48127056; Eh | |||
 | 7-Aug-2024 | /2h-pcy2tbu/2h-pcy2tbu-21-t4 2h-pcy2tbu-21-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1632.71068548; Eh | |||
 | 6-Aug-2024 | /3e-cymephos/3e-cymephos-14-ts-t1-t2 3e-cymephos-14-ts-t1-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2149.57978242; Eh | |||
 | 6-Aug-2024 | /9c-etjohnphos/9c-etjohnphos-41-p1-boh3 9c-etjohnphos-41-p1-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2759.63499412; Eh | |||
 | 6-Aug-2024 | /9g-pet3/9g-pet3-10-ts-c3-c4 9g-pet3-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1241.36824253; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-72-hc1 2g-pcy3-72-hc1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2192.08209614; Eh | |||
 | 6-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-64-t3ob-1h2o 3n-tbuxphos-64-t3ob-1h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2002.45463674; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-57-koh-ref 2j-ptbu3-57-koh-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1768.37598801; Eh |
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