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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Aug-2024 | /3i-xphos/3i-xphos-25-ts-t5-t6 3i-xphos-25-ts-t5-t6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2542.14746358; Eh | |||
 | 6-Aug-2024 | /9c-etjohnphos/9c-etjohnphos-01-rxt 9c-etjohnphos-01-rxt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1801.25709545; Eh | |||
 | 6-Aug-2024 | /9d-mejohnphos/9d-mejohnphos-42-p1 9d-mejohnphos-42-p1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2353.38317093; Eh | |||
 | 6-Aug-2024 | /9g-pet3/9g-pet3-09-c3 9g-pet3-09-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1241.42065491; Eh | |||
 | 7-Aug-2024 | /9b-cptjohnphos/9b-cptjohnphos-40-ts-t2-p1 9b-cptjohnphos-40-ts-t2-p1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3228.30784629; Eh | |||
 | 7-Aug-2024 | /2c-pph3/2c-pph3-39-t2-lig 2c-pph3-39-t2-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2909.67289146; Eh | |||
 | 7-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-21-t4 3o-tbubrettphos-21-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2364.15897377; Eh | |||
 | 6-Aug-2024 | /2f-pcpt3/2f-pcpt3-19-t3 2f-pcpt3-19-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1592.25558912; Eh | |||
 | 6-Aug-2024 | /3h-ruphos/3h-ruphos-84-lig 3h-ruphos-84-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1658.08388659; Eh | |||
 | 7-Aug-2024 | /3i-xphos/3i-xphos-21-t4 3i-xphos-21-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2290.11767035; Eh |
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