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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /9a-cbujohnphos/9a-cbujohnphos-42-p1 9a-cbujohnphos-42-p1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2816.23428346; Eh | |||
 | 6-Aug-2024 | /9g-pet3/9g-pet3-21-t4 9g-pet3-21-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1241.40375406; Eh | |||
 | 7-Aug-2024 | /3q-adjohnphos/3q-adjohnphos-14-ts-t1-t2 3q-adjohnphos-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2421.83533679; Eh | |||
 | 7-Aug-2024 | /3e-cymephos/3e-cymephos-06-c2-h2o 3e-cymephos-06-c2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2228.33098123; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-12-ts-rxt-t1 2g-pcy3-12-ts-rxt-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1885.71234583; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-56-oh-ref 2g-pcy3-56-oh-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1400.57491992; Eh | |||
 | 6-Aug-2024 | /9c-etjohnphos/9c-etjohnphos-12-ts-rxt-t1 9c-etjohnphos-12-ts-rxt-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1799.34307147; Eh | |||
 | 6-Aug-2024 | /3c-phdavephos/3c-phdavephos-08-c3-boh3 3c-phdavephos-08-c3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2313.14362192; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-58-c2alt 2g-pcy3-58-c2alt-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1883.68896179; Eh | |||
 | 6-Aug-2024 | /3m-tbudavephos/3m-tbudavephos-13-t1 3m-tbudavephos-13-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2089.56559158; Eh |
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