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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Aug-2024 | /3g-sphos/3g-sphos-06-c2-h2o 3g-sphos-06-c2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2417.73677885; Eh | |||
 | 7-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-42-p1 3d-cyjohnphos-42-p1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3133.27658411; Eh | |||
 | 6-Aug-2024 | /9a-cbujohnphos/9a-cbujohnphos-84-lig 9a-cbujohnphos-84-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1115.49586712; Eh | |||
 | 6-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-57-koh-ref 3k-tbujohnphos-57-koh-ref-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2071.02297720; Eh | |||
 | 6-Aug-2024 | /3e-cymephos/3e-cymephos-02-ts-rxt-c1 3e-cymephos-02-ts-rxt-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2149.57124456; Eh | |||
 | 6-Aug-2024 | /2i-ptbu2cy/2i-ptbu2cy-10-ts-c3-c4 2i-ptbu2cy-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1553.57194615; Eh | |||
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-19-t3 3a-iprjohnphos-19-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1702.05424943; Eh | |||
 | 6-Aug-2024 | /2i-ptbu2cy/2i-ptbu2cy-19-t3 2i-ptbu2cy-19-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1553.61558362; Eh | |||
 | 6-Aug-2024 | /2i-ptbu2cy/2i-ptbu2cy-06-c2-h2o 2i-ptbu2cy-06-c2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1807.50439075; Eh | |||
 | 6-Aug-2024 | /9b-cptjohnphos/9b-cptjohnphos-14-ts-t1-t2 9b-cptjohnphos-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2034.24691164; Eh |
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