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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-38-ts-yb-c1 3n-tbuxphos-38-ts-yb-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2384.85158726; Eh | |||
 | 6-Aug-2024 | /9g-pet3/9g-pet3-00-lpdoh2 9g-pet3-00-lpdoh2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1713.50286735; Eh | |||
 | 6-Aug-2024 | /9d-mejohnphos/9d-mejohnphos-20-ts-t3-t4 9d-mejohnphos-20-ts-t3-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1547.02672987; Eh | |||
 | 6-Aug-2024 | /3m-tbudavephos/3m-tbudavephos-18-t3-boh3 3m-tbudavephos-18-t3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2168.20115908; Eh | |||
 | 7-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-13-t1 3p-me4tbuxphos-13-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2468.19061804; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-48-c-ref 2g-pcy3-48-c-ref-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1324.80404603; Eh | |||
 | 7-Aug-2024 | /3j-brettphos/3j-brettphos-19-t3 3j-brettphos-19-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2518.74876902; Eh | |||
 | 7-Aug-2024 | /3i-xphos/3i-xphos-05-c2 3i-xphos-05-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2465.89080153; Eh | |||
 | 6-Aug-2024 | /9h-pme3/9h-pme3-84-lig 9h-pme3-84-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -460.570169365; Eh | |||
 | 6-Aug-2024 | /2i-ptbu2cy/2i-ptbu2cy-21-t4 2i-ptbu2cy-21-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1553.61657593; Eh |
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