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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3q-adjohnphos/3q-adjohnphos-17-ts-t2-t3 3q-adjohnphos-17-ts-t2-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2495.36030813; Eh | |||
 | 6-Aug-2024 | /base-reactants/base-reactants-oh0dioxane base-reactants-oh0dioxane-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -75.66347554; Eh | |||
 | 6-Aug-2024 | /9c-etjohnphos/9c-etjohnphos-19-t3 9c-etjohnphos-19-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1623.70666544; Eh | |||
 | 7-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-25-ts-t5-t6 3o-tbubrettphos-25-ts-t5-t6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2616.17787456; Eh | |||
 | 6-Aug-2024 | /3b-phjohnphos/3b-phjohnphos-18-t3-boh3 3b-phjohnphos-18-t3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2181.86839751; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-14-ts-t1-t2 2g-pcy3-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1885.70549004; Eh | |||
 | 6-Aug-2024 | /3g-sphos/3g-sphos-23-ts-c5-c6 3g-sphos-23-ts-c5-c6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2417.68333775; Eh | |||
 | 7-Aug-2024 | /9b-cptjohnphos/9b-cptjohnphos-42-p1 9b-cptjohnphos-42-p1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2976.29648544; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-01-rxt 3d-cyjohnphos-01-rxt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2112.75121364; Eh | |||
 | 6-Aug-2024 | /2c-pph3/2c-pph3-07-ts-c2-c3 2c-pph3-07-ts-c2-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1949.27712553; Eh |
Results 1281-1290 of 5215 (Search time: 0.003 seconds).