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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /2d-potol3/2d-potol3-07-ts-c2-c3 2d-potol3-07-ts-c2-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2068.97962443; Eh | |||
 | 6-Aug-2024 | /9h-pme3/9h-pme3-06-c2-h2o 9h-pme3-06-c2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1377.14703746; Eh | |||
 | 7-Aug-2024 | /9c-etjohnphos/9c-etjohnphos-42-p1 9c-etjohnphos-42-p1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2510.31161601; Eh | |||
 | 6-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-36-ts-rxt-yb 3r-adbrettphos-36-ts-rxt-yb-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3076.36884911; Eh | |||
 | 6-Aug-2024 | /3h-ruphos/3h-ruphos-06-c2-h2o 3h-ruphos-06-c2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2571.90047370; Eh | |||
 | 6-Aug-2024 | /3m-tbudavephos/3m-tbudavephos-11-c4 3m-tbudavephos-11-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1913.88876961; Eh | |||
 | 6-Aug-2024 | /9e-pcbu3/9e-pcbu3-05-c2 9e-pcbu3-05-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1648.52322411; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-21-t4 2j-ptbu3-21-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1476.41717723; Eh | |||
 | 7-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-18-t3-boh3 3p-me4tbuxphos-18-t3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2544.49086097; Eh | |||
 | 6-Aug-2024 | /3f-davephos/3f-davephos-10-ts-c3-c4 3f-davephos-10-ts-c3-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2070.69134908; Eh |
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