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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Aug-2024 | /2k-pad3/2k-pad3-11-c4 2k-pad3-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2173.62745481; Eh | |||
 | 6-Aug-2024 | /9e-pcbu3/9e-pcbu3-40-ts-t2-p1 9e-pcbu3-40-ts-t2-p1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2457.79391350; Eh | |||
 | 6-Aug-2024 | /9h-pme3/9h-pme3-43-t3-lig 9h-pme3-43-t3-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1584.26185079; Eh | |||
 | 6-Aug-2024 | /3m-tbudavephos/3m-tbudavephos-22-c5 3m-tbudavephos-22-c5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2165.84662757; Eh | |||
 | 7-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-39-t2-lig 3d-cyjohnphos-39-t2-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3385.29492987; Eh | |||
 | 6-Aug-2024 | /2d-potol3/2d-potol3-16-t2-h2o 2d-potol3-16-t2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2068.95335572; Eh | |||
 | 7-Aug-2024 | /3j-brettphos/3j-brettphos-25-ts-t5-t6 3j-brettphos-25-ts-t5-t6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2770.76532671; Eh | |||
 | 6-Aug-2024 | /9f-pcpr3/9f-pcpr3-18-t3-boh3 9f-pcpr3-18-t3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1608.83308112; Eh | |||
 | 6-Aug-2024 | /3e-cymephos/3e-cymephos-19-t3 3e-cymephos-19-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1976.24221734; Eh | |||
 | 6-Aug-2024 | /3e-cymephos/3e-cymephos-12-ts-rxt-t1 3e-cymephos-12-ts-rxt-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2149.58184305; Eh |
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