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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-20-ts-t3-t4 3r-adbrettphos-20-ts-t3-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2824.44129310; Eh | |||
 | 6-Aug-2024 | /3c-phdavephos/3c-phdavephos-09-c3 3c-phdavephos-09-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2061.19920044; Eh | |||
 | 7-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-10-ts-c3-c4 3p-me4tbuxphos-10-ts-c3-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2292.41244688; Eh | |||
 | 6-Aug-2024 | /3e-cymephos/3e-cymephos-03-c1 3e-cymephos-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2151.97434675; Eh | |||
 | 6-Aug-2024 | /2e-pipr3/2e-pipr3-09-c3 2e-pipr3-09-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1360.47551454; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-21-t4 2g-pcy3-21-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1709.98696657; Eh | |||
 | 6-Aug-2024 | /9g-pet3/9g-pet3-11-c4 9g-pet3-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1242.76541608; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-72-ts-c2-naphboh2-hc1 2j-ptbu3-72-ts-c2-naphboh2-hc1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2212.41034559; Eh | |||
 | 6-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-12-ts-rxt-t1 3o-tbubrettphos-12-ts-rxt-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2537.04211886; Eh | |||
 | 6-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-10-ts-c3-c4 3o-tbubrettphos-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2361.35333929; Eh |
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