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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-05-c2 3k-tbujohnphos-05-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1956.07770545; Eh | |||
 | 6-Aug-2024 | /3f-davephos/3f-davephos-15-t2 3f-davephos-15-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2243.97015666; Eh | |||
 | 6-Aug-2024 | /9g-pet3/9g-pet3-02-ts-rxt-c1 9g-pet3-02-ts-rxt-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1418.47620599; Eh | |||
 | 6-Aug-2024 | /9g-pet3/9g-pet3-14-ts-t1-t2 9g-pet3-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1418.47729471; Eh | |||
 | 6-Aug-2024 | /3l-tbumephos/3l-tbumephos-15-t2 3l-tbumephos-15-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1997.42308833; Eh | |||
 | 6-Aug-2024 | /3e-cymephos/3e-cymephos-17-ts-t2-t3 3e-cymephos-17-ts-t2-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2225.84870970; Eh | |||
 | 6-Aug-2024 | /3h-ruphos/3h-ruphos-23-ts-c5-c6 3h-ruphos-23-ts-c5-c6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2571.83074413; Eh | |||
 | 6-Aug-2024 | /9e-pcbu3/9e-pcbu3-18-t3-boh3 9e-pcbu3-18-t3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1724.74418192; Eh | |||
 | 6-Aug-2024 | /3r-adbrettphos/3r-adbrettphos-11-c4 3r-adbrettphos-11-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2824.44280163; Eh | |||
 | 6-Aug-2024 | /9g-pet3/9g-pet3-42-p1 9g-pet3-42-p1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1743.09489602; Eh |
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