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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-18-t3-boh3 3a-iprjohnphos-18-t3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1956.04916293; Eh | |||
 | 6-Aug-2024 | /9d-mejohnphos/9d-mejohnphos-10-ts-c3-c4 9d-mejohnphos-10-ts-c3-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1547.03372687; Eh | |||
 | 6-Aug-2024 | /9b-cptjohnphos/9b-cptjohnphos-18-t3-boh3 9b-cptjohnphos-18-t3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2110.59133857; Eh | |||
 | 6-Aug-2024 | /2h-pcy2tbu/2h-pcy2tbu-11-c4 2h-pcy2tbu-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1632.69924116; Eh | |||
 | 7-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-09-c3 3n-tbuxphos-09-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2135.55243369; Eh | |||
 | 6-Aug-2024 | /3i-xphos/3i-xphos-20-ts-t3-t4 3i-xphos-20-ts-t3-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2287.32016038; Eh | |||
 | 6-Aug-2024 | /3m-tbudavephos/3m-tbudavephos-21-t4 3m-tbudavephos-21-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1913.91970619; Eh | |||
 | 7-Aug-2024 | /3q-adjohnphos/3q-adjohnphos-20-ts-t3-t4 3q-adjohnphos-20-ts-t3-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2246.08750043; Eh | |||
 | 6-Aug-2024 | /9c-etjohnphos/9c-etjohnphos-11-c4 9c-etjohnphos-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1625.52743658; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-84-lig 2g-pcy3-84-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1045.48264166; Eh |
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