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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /2h-pcy2tbu/2h-pcy2tbu-22-c5 2h-pcy2tbu-22-c5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1882.75559211; Eh | |||
 | 6-Aug-2024 | /3b-phjohnphos/3b-phjohnphos-04-ts-c1-c2 3b-phjohnphos-04-ts-c1-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2105.53296828; Eh | |||
 | 6-Aug-2024 | /9e-pcbu3/9e-pcbu3-14-ts-t1-t2 9e-pcbu3-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1650.19809355; Eh | |||
 | 6-Aug-2024 | /3c-phdavephos/3c-phdavephos-10-ts-c3-c4 3c-phdavephos-10-ts-c3-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2063.49039862; Eh | |||
 | 6-Aug-2024 | /9g-pet3/9g-pet3-07-ts-c2-c3 9g-pet3-07-ts-c2-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1494.84018791; Eh | |||
 | 6-Aug-2024 | /9g-pet3/9g-pet3-08-c3-boh3 9g-pet3-08-c3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1494.84784250; Eh | |||
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-02-ts-rxt-c1 3a-iprjohnphos-02-ts-rxt-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1877.67692186; Eh | |||
 | 6-Aug-2024 | /9g-pet3/9g-pet3-20-ts-t3-t4 9g-pet3-20-ts-t3-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1241.36652270; Eh | |||
 | 6-Aug-2024 | /3h-ruphos/3h-ruphos-84-lig 3h-ruphos-84-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1656.46967169; Eh | |||
 | 7-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-25-ts-t5-t6 3p-me4tbuxphos-25-ts-t5-t6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2544.47964129; Eh |
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