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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-39-t2-lig 3k-tbujohnphos-39-t2-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3076.13711635; Eh | |||
 | 6-Aug-2024 | /3m-tbudavephos/3m-tbudavephos-06-c2-h2o 3m-tbudavephos-06-c2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2168.22393339; Eh | |||
 | 6-Aug-2024 | /9a-cbujohnphos/9a-cbujohnphos-15-t2 9a-cbujohnphos-15-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1955.75191022; Eh | |||
 | 6-Aug-2024 | /9d-mejohnphos/9d-mejohnphos-84-lig 9d-mejohnphos-84-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -882.557014289; Eh | |||
 | 6-Aug-2024 | /3j-brettphos/3j-brettphos-25-ts-t5-t6 3j-brettphos-25-ts-t5-t6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2767.68362240; Eh | |||
 | 6-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-23-ts-c5-c6 3n-tbuxphos-23-ts-c5-c6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2384.84553528; Eh | |||
 | 6-Aug-2024 | /9a-cbujohnphos/9a-cbujohnphos-18-t3-boh3 9a-cbujohnphos-18-t3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2029.92213940; Eh | |||
 | 6-Aug-2024 | /3c-phdavephos/3c-phdavephos-24-t5 3c-phdavephos-24-t5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2313.10911112; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-81-hc4 2g-pcy3-81-hc4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1940.15772706; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-36-ts-rxt-yb 3d-cyjohnphos-36-ts-rxt-yb-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2189.03487307; Eh |
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