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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /2i-ptbu2cy/2i-ptbu2cy-03-c1 2i-ptbu2cy-03-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1729.24782519; Eh | |||
 | 6-Aug-2024 | /2c-pph3/2c-pph3-03-c1 2c-pph3-03-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1872.95601599; Eh | |||
 | 7-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-38-ts-yb-c1 3r-adbrettphos-38-ts-yb-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3079.84903204; Eh | |||
 | 6-Aug-2024 | /2d-potol3/2d-potol3-02-ts-rxt-c1 2d-potol3-02-ts-rxt-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1992.61360786; Eh | |||
 | 7-Aug-2024 | /3f-davephos/3f-davephos-16-t2-h2o 3f-davephos-16-t2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2322.77670988; Eh | |||
 | 6-Aug-2024 | /9g-pet3/9g-pet3-16-t2-h2o 9g-pet3-16-t2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1494.81288968; Eh | |||
 | 6-Aug-2024 | /9b-cptjohnphos/9b-cptjohnphos-11-c4 9b-cptjohnphos-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1858.52565647; Eh | |||
 | 6-Aug-2024 | /3f-davephos/3f-davephos-14-ts-t1-t2 3f-davephos-14-ts-t1-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2243.93646051; Eh | |||
 | 6-Aug-2024 | /9a-cbujohnphos/9a-cbujohnphos-03-c1 9a-cbujohnphos-03-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1953.62158414; Eh | |||
 | 6-Aug-2024 | /3q-adjohnphos/3q-adjohnphos-15-t2 3q-adjohnphos-15-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2419.12643169; Eh |
Results 2281-2290 of 5215 (Search time: 0.002 seconds).