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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Aug-2024 | /3g-sphos/3g-sphos-02-ts-rxt-c1 3g-sphos-02-ts-rxt-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2341.36311658; Eh | |||
 | 6-Aug-2024 | /2j-ptbu3/2j-ptbu3-08-c3-boh3 2j-ptbu3-08-c3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1730.20747424; Eh | |||
 | 7-Aug-2024 | /3q-adjohnphos/3q-adjohnphos-01-rxt 3q-adjohnphos-01-rxt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2421.85847612; Eh | |||
 | 6-Aug-2024 | /9e-pcbu3/9e-pcbu3-21-t4 9e-pcbu3-21-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1474.48478658; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-22-c5 3d-cyjohnphos-22-c5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2186.72101125; Eh | |||
 | 6-Aug-2024 | /3e-cymephos/3e-cymephos-84-lig 3e-cymephos-84-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1310.46885223; Eh | |||
 | 6-Aug-2024 | /9a-cbujohnphos/9a-cbujohnphos-07-ts-c2-c3 9a-cbujohnphos-07-ts-c2-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2032.08584019; Eh | |||
 | 6-Aug-2024 | /3k-tbujohnphos/3k-tbujohnphos-54-cw-ref 3k-tbujohnphos-54-cw-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1473.59334983; Eh | |||
 | 6-Aug-2024 | /9b-cptjohnphos/9b-cptjohnphos-09-c3 9b-cptjohnphos-09-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1858.54962354; Eh | |||
 | 7-Aug-2024 | /3h-ruphos/3h-ruphos-18-t3-boh3 3h-ruphos-18-t3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2574.65915118; Eh |
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