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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /9b-cptjohnphos/9b-cptjohnphos-01-rxt 9b-cptjohnphos-01-rxt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2034.26631146; Eh | |||
 | 6-Aug-2024 | /3m-tbudavephos/3m-tbudavephos-09-c3 3m-tbudavephos-09-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1916.16324351; Eh | |||
 | 7-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-03-c1 3n-tbuxphos-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2311.25400487; Eh | |||
 | 6-Aug-2024 | /2f-pcpt3/2f-pcpt3-12-ts-rxt-t1 2f-pcpt3-12-ts-rxt-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1766.07980804; Eh | |||
 | 6-Aug-2024 | /3l-tbumephos/3l-tbumephos-25-ts-t5-t6 3l-tbumephos-25-ts-t5-t6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2071.44671563; Eh | |||
 | 6-Aug-2024 | /9d-mejohnphos/9d-mejohnphos-39-t2-lig 9d-mejohnphos-39-t2-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2602.89023181; Eh | |||
 | 7-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-46-ub-ref 3d-cyjohnphos-46-ub-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3103.77814269; Eh | |||
 | 6-Aug-2024 | /2i-ptbu2cy/2i-ptbu2cy-16-t2-h2o 2i-ptbu2cy-16-t2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1807.47414629; Eh | |||
 | 6-Aug-2024 | /3g-sphos/3g-sphos-84-lig 3g-sphos-84-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1501.13697656; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-04-ts-c1-c2 2j-ptbu3-04-ts-c1-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1652.04035509; Eh |
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