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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3c-phdavephos/3c-phdavephos-21-t4 3c-phdavephos-21-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2061.18875796; Eh | |||
 | 6-Aug-2024 | /3j-brettphos/3j-brettphos-11-c4 3j-brettphos-11-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2515.77324228; Eh | |||
 | 6-Aug-2024 | /2d-potol3/2d-potol3-09-c3 2d-potol3-09-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1814.86478560; Eh | |||
 | 7-Aug-2024 | /3o-tbubrettphos/3o-tbubrettphos-02-ts-rxt-c1 3o-tbubrettphos-02-ts-rxt-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2539.85849850; Eh | |||
 | 6-Aug-2024 | /9f-pcpr3/9f-pcpr3-16-t2-h2o 9f-pcpr3-16-t2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1608.82936673; Eh | |||
 | 7-Aug-2024 | /3j-brettphos/3j-brettphos-35-ts-ya-c1 3j-brettphos-35-ts-ya-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2694.46347566; Eh | |||
 | 6-Aug-2024 | /9f-pcpr3/9f-pcpr3-07-ts-c2-c3 9f-pcpr3-07-ts-c2-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1608.85250011; Eh | |||
 | 7-Aug-2024 | /3l-tbumephos/3l-tbumephos-00-lpdoh2 3l-tbumephos-00-lpdoh2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2873.12131193; Eh | |||
 | 6-Aug-2024 | /2c-pph3/2c-pph3-10-ts-c3-c4 2c-pph3-10-ts-c3-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1699.16816928; Eh | |||
 | 7-Aug-2024 | /3j-brettphos/3j-brettphos-34-ya 3j-brettphos-34-ya-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2694.48469500; Eh |
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