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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /9a-cbujohnphos/9a-cbujohnphos-01-rxt 9a-cbujohnphos-01-rxt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1955.74003257; Eh | |||
 | 7-Aug-2024 | /3i-xphos/3i-xphos-20-ts-t3-t4 3i-xphos-20-ts-t3-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2290.08854677; Eh | |||
 | 6-Aug-2024 | /2e-pipr3/2e-pipr3-22-c5 2e-pipr3-22-c5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1612.52928653; Eh | |||
 | 6-Aug-2024 | /2d-potol3/2d-potol3-16-t2-h2o 2d-potol3-16-t2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2066.77761728; Eh | |||
 | 6-Aug-2024 | /3g-sphos/3g-sphos-12-ts-rxt-t1 3g-sphos-12-ts-rxt-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2338.85879925; Eh | |||
 | 6-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-22-c5 3o-tbubrettphos-22-c5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2613.33177443; Eh | |||
 | 6-Aug-2024 | /3m-tbudavephos/3m-tbudavephos-19-t3 3m-tbudavephos-19-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1913.91775655; Eh | |||
 | 6-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-37-yb 3n-tbuxphos-37-yb-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2384.88770194; Eh | |||
 | 6-Aug-2024 | /3h-ruphos/3h-ruphos-13-t1 3h-ruphos-13-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2495.59358015; Eh | |||
 | 7-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-47-oacu-ref 3d-cyjohnphos-47-oacu-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3713.38071224; Eh |
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