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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Aug-2024 | /2f-pcpt3/2f-pcpt3-00-lpdoh2 2f-pcpt3-00-lpdoh2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2414.29983212; Eh | |||
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-04-ts-c1-c2 3a-iprjohnphos-04-ts-c1-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1877.68124838; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-38-ts-yb-c1 3d-cyjohnphos-38-ts-yb-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2186.65192298; Eh | |||
 | 6-Aug-2024 | /3g-sphos/3g-sphos-07-ts-c2-c3 3g-sphos-07-ts-c2-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2415.16583333; Eh | |||
 | 6-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-60-t3rh 3n-tbuxphos-60-t3rh-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2308.64727161; Eh | |||
 | 6-Aug-2024 | /3h-ruphos/3h-ruphos-00-lpdoh2 3h-ruphos-00-lpdoh2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3870.57971139; Eh | |||
 | 6-Aug-2024 | /9e-pcbu3/9e-pcbu3-03-c1 9e-pcbu3-03-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1648.45965056; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-25-ts-t5-t6 3d-cyjohnphos-25-ts-t5-t6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2189.03561186; Eh | |||
 | 7-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-21-t4 3p-me4tbuxphos-21-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2292.45539841; Eh | |||
 | 6-Aug-2024 | /9d-mejohnphos/9d-mejohnphos-11-c4 9d-mejohnphos-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1547.06158714; Eh |
Results 1611-1620 of 5215 (Search time: 0.002 seconds).