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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Aug-2024 | /2d-potol3/2d-potol3-24-t5 2d-potol3-24-t5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2068.93223828; Eh | |||
 | 6-Aug-2024 | /2d-potol3/2d-potol3-15-t2 2d-potol3-15-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1992.64560461; Eh | |||
 | 7-Aug-2024 | /3f-davephos/3f-davephos-03-c1 3f-davephos-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2246.44663114; Eh | |||
 | 6-Aug-2024 | /3g-sphos/3g-sphos-09-c3 3g-sphos-09-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2165.67264240; Eh | |||
 | 6-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-60-t3rh 3p-me4tbuxphos-60-t3rh-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2465.31751756; Eh | |||
 | 6-Aug-2024 | /9h-pme3/9h-pme3-20-ts-t3-t4 9h-pme3-20-ts-t3-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1123.83773541; Eh | |||
 | 7-Aug-2024 | /9a-cbujohnphos/9a-cbujohnphos-41-p1-boh3 9a-cbujohnphos-41-p1-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3071.33312335; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-52-cs-ref 3d-cyjohnphos-52-cs-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1858.93442974; Eh | |||
 | 6-Aug-2024 | /base-reactants/base-reactants-naphbpinoh base-reactants-naphbpinoh-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -870.790849685; Eh | |||
 | 7-Aug-2024 | /3c-phdavephos/3c-phdavephos-24-t5 3c-phdavephos-24-t5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2315.56770809; Eh |
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