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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Aug-2024 | /3e-cymephos/3e-cymephos-02-ts-rxt-c1 3e-cymephos-02-ts-rxt-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2151.96110936; Eh | |||
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-35-ts-ya-c1 3a-iprjohnphos-35-ts-ya-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1879.70292697; Eh | |||
 | 6-Aug-2024 | /3q-adjohnphos/3q-adjohnphos-04-ts-c1-c2 3q-adjohnphos-04-ts-c1-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2419.07633456; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-77-ts-hc2-hc3 2g-pcy3-77-ts-hc2-hc3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2192.05511618; Eh | |||
 | 6-Aug-2024 | /9b-cptjohnphos/9b-cptjohnphos-00-lpdoh2 9b-cptjohnphos-00-lpdoh2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2943.49550732; Eh | |||
 | 6-Aug-2024 | /2h-pcy2tbu/2h-pcy2tbu-08-c3-boh3 2h-pcy2tbu-08-c3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1882.76412764; Eh | |||
 | 6-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-42-p1 3k-tbujohnphos-42-p1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2820.99806912; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-76-hc2 2g-pcy3-76-hc2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2192.07147190; Eh | |||
 | 6-Aug-2024 | /9d-mejohnphos/9d-mejohnphos-04-ts-c1-c2 9d-mejohnphos-04-ts-c1-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1722.78319301; Eh | |||
 | 6-Aug-2024 | /2c-pph3/2c-pph3-45-p1-h2o 2c-pph3-45-p1-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2733.96180795; Eh |
Results 1221-1230 of 5215 (Search time: 0.002 seconds).