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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Aug-2024 | /3j-brettphos/3j-brettphos-04-ts-c1-c2 3j-brettphos-04-ts-c1-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2694.45948610; Eh | |||
 | 7-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-14-ts-t1-t2 3n-tbuxphos-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2311.26439345; Eh | |||
 | 7-Aug-2024 | /3i-xphos/3i-xphos-17-ts-t2-t3 3i-xphos-17-ts-t2-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2542.14711029; Eh | |||
 | 6-Aug-2024 | /9h-pme3/9h-pme3-13-t1 9h-pme3-13-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1300.79579589; Eh | |||
 | 6-Aug-2024 | /3c-phdavephos/3c-phdavephos-12-ts-rxt-t1 3c-phdavephos-12-ts-rxt-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2236.82421914; Eh | |||
 | 6-Aug-2024 | /3h-ruphos/3h-ruphos-17-ts-t2-t3 3h-ruphos-17-ts-t2-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2571.84567138; Eh | |||
 | 6-Aug-2024 | /9g-pet3/9g-pet3-01-rxt 9g-pet3-01-rxt-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1417.06074108; Eh | |||
 | 6-Aug-2024 | /9e-pcbu3/9e-pcbu3-84-lig 9e-pcbu3-84-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -809.33808468; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-08-c3-boh3 3d-cyjohnphos-08-c3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2189.09931381; Eh | |||
 | 7-Aug-2024 | /2g-pcy3/2g-pcy3-41-p1-boh3 2g-pcy3-41-p1-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2931.29954641; Eh |
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