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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /9d-mejohnphos/9d-mejohnphos-02-ts-rxt-c1 9d-mejohnphos-02-ts-rxt-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1720.97940280; Eh | |||
 | 6-Aug-2024 | /9d-mejohnphos/9d-mejohnphos-12-ts-rxt-t1 9d-mejohnphos-12-ts-rxt-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1720.99551231; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-10-ts-c3-c4 3d-cyjohnphos-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1934.72366526; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-12-ts-rxt-t1 2g-pcy3-12-ts-rxt-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1883.63706407; Eh | |||
 | 6-Aug-2024 | /3g-sphos/3g-sphos-16-t2-h2o 3g-sphos-16-t2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2415.13976403; Eh | |||
 | 6-Aug-2024 | /9a-cbujohnphos/9a-cbujohnphos-20-ts-t3-t4 9a-cbujohnphos-20-ts-t3-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1779.97471470; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-54-cw-ref 2j-ptbu3-54-cw-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1169.28210528; Eh | |||
 | 6-Aug-2024 | /3e-cymephos/3e-cymephos-10-ts-c3-c4 3e-cymephos-10-ts-c3-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1976.22093910; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-01-rxt 2j-ptbu3-01-rxt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1653.86624494; Eh | |||
 | 6-Aug-2024 | /3f-davephos/3f-davephos-21-t4 3f-davephos-21-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2070.72140959; Eh |
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