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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3f-davephos/3f-davephos-22-c5 3f-davephos-22-c5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2320.24684850; Eh | |||
 | 6-Aug-2024 | /2f-pcpt3/2f-pcpt3-23-ts-c5-c6 2f-pcpt3-23-ts-c5-c6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1844.30091852; Eh | |||
 | 7-Aug-2024 | /3i-xphos/3i-xphos-10-ts-c3-c4 3i-xphos-10-ts-c3-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2290.08479626; Eh | |||
 | 7-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-19-t3 3n-tbuxphos-19-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2135.54555207; Eh | |||
 | 6-Aug-2024 | /9h-pme3/9h-pme3-21-t4 9h-pme3-21-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1125.06563243; Eh | |||
 | 6-Aug-2024 | /base-reactants/base-reactants-koh base-reactants-koh-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -675.316293559; Eh | |||
 | 6-Aug-2024 | /3q-adjohnphos/3q-adjohnphos-12-ts-rxt-t1 3q-adjohnphos-12-ts-rxt-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2419.09558275; Eh | |||
 | 6-Aug-2024 | /9b-cptjohnphos/9b-cptjohnphos-06-c2-h2o 9b-cptjohnphos-06-c2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2108.35697321; Eh | |||
 | 6-Aug-2024 | /9g-pet3/9g-pet3-04-ts-c1-c2 9g-pet3-04-ts-c1-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1417.03772133; Eh | |||
 | 6-Aug-2024 | /2h-pcy2tbu/2h-pcy2tbu-14-ts-t1-t2 2h-pcy2tbu-14-ts-t1-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1806.44416122; Eh |
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