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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3g-sphos/3g-sphos-06-c2-h2o 3g-sphos-06-c2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2415.17867333; Eh | |||
 | 6-Aug-2024 | /9h-pme3/9h-pme3-01-rxt 9h-pme3-01-rxt-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1299.53859877; Eh | |||
 | 6-Aug-2024 | /3m-tbudavephos/3m-tbudavephos-23-ts-c5-c6 3m-tbudavephos-23-ts-c5-c6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2168.16721191; Eh | |||
 | 7-Aug-2024 | /9c-etjohnphos/9c-etjohnphos-39-t2-lig 9c-etjohnphos-39-t2-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2762.32157620; Eh | |||
 | 7-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-32-ts-xb-t3 3p-me4tbuxphos-32-ts-xb-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2292.44346704; Eh | |||
 | 6-Aug-2024 | /2f-pcpt3/2f-pcpt3-20-ts-t3-t4 2f-pcpt3-20-ts-t3-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1592.23658044; Eh | |||
 | 7-Aug-2024 | /3g-sphos/3g-sphos-25-ts-t5-t6 3g-sphos-25-ts-t5-t6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2417.67879411; Eh | |||
 | 6-Aug-2024 | /9g-pet3/9g-pet3-19-t3 9g-pet3-19-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1242.75068163; Eh | |||
 | 6-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-55-tw-ref 3k-tbujohnphos-55-tw-ref-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1471.96955679; Eh | |||
 | 6-Aug-2024 | /2d-potol3/2d-potol3-01-rxt 2d-potol3-01-rxt-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1990.50571885; Eh |
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