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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /9d-mejohnphos/9d-mejohnphos-20-ts-t3-t4 9d-mejohnphos-20-ts-t3-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1545.31802574; Eh | |||
 | 6-Aug-2024 | /unlig-pdoh2/unlig-pdoh2-08-int3-boh3 unlig-pdoh2-08-int3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1475.72391473; Eh | |||
 | 6-Aug-2024 | /2d-potol3/2d-potol3-10-ts-c3-c4 2d-potol3-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1814.80693479; Eh | |||
 | 6-Aug-2024 | /9f-pcpr3/9f-pcpr3-84-lig 9f-pcpr3-84-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -691.80855430; Eh | |||
 | 6-Aug-2024 | /3c-phdavephos/3c-phdavephos-12-ts-rxt-t1 3c-phdavephos-12-ts-rxt-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2239.24408215; Eh | |||
 | 7-Aug-2024 | /9e-pcbu3/9e-pcbu3-43-t3-lig 9e-pcbu3-43-t3-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2284.49224595; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-16-t2-h2o 2j-ptbu3-16-t2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1730.18185631; Eh | |||
 | 7-Aug-2024 | /3g-sphos/3g-sphos-01-rxt 3g-sphos-01-rxt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2341.39226142; Eh | |||
 | 6-Aug-2024 | /3j-brettphos/3j-brettphos-12-ts-rxt-t1 3j-brettphos-12-ts-rxt-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2691.43140214; Eh | |||
 | 6-Aug-2024 | /3f-davephos/3f-davephos-02-ts-rxt-c1 3f-davephos-02-ts-rxt-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2243.92516045; Eh |
Results 1361-1370 of 5215 (Search time: 0.004 seconds).