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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-06-c2-h2o 3a-iprjohnphos-06-c2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1956.06980324; Eh | |||
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-23-ts-c5-c6 3a-iprjohnphos-23-ts-c5-c6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1956.02049687; Eh | |||
 | 6-Aug-2024 | /9e-pcbu3/9e-pcbu3-02-ts-rxt-c1 9e-pcbu3-02-ts-rxt-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1650.19591659; Eh | |||
 | 7-Aug-2024 | /2i-ptbu2cy/2i-ptbu2cy-00-lpdoh2 2i-ptbu2cy-00-lpdoh2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2340.60940657; Eh | |||
 | 6-Aug-2024 | /base-reactants/base-reactants-pd2oac4 base-reactants-pd2oac4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1166.70258183; Eh | |||
 | 6-Aug-2024 | /3j-brettphos/3j-brettphos-01-rxt 3j-brettphos-01-rxt-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2691.45653253; Eh | |||
 | 6-Aug-2024 | /9b-cptjohnphos/9b-cptjohnphos-11-c4 9b-cptjohnphos-11-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1856.37696474; Eh | |||
 | 6-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-19-t3 3r-adbrettphos-19-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2824.48188837; Eh | |||
 | 7-Aug-2024 | /2g-pcy3/2g-pcy3-44-ts-t3-p1 2g-pcy3-44-ts-t3-p1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2755.48994547; Eh | |||
 | 7-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-07-ts-c2-c3 3n-tbuxphos-07-ts-c2-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2387.59989694; Eh |
Results 1511-1520 of 5215 (Search time: 0.003 seconds).