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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Aug-2024 | /3j-brettphos/3j-brettphos-22-c5 3j-brettphos-22-c5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2770.81113771; Eh | |||
 | 7-Aug-2024 | /3j-brettphos/3j-brettphos-03-c1 3j-brettphos-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2694.46187182; Eh | |||
 | 7-Aug-2024 | /2k-pad3/2k-pad3-15-t2 2k-pad3-15-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2349.38495880; Eh | |||
 | 6-Aug-2024 | /3f-davephos/3f-davephos-16-t2-h2o 3f-davephos-16-t2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2320.21631852; Eh | |||
 | 6-Aug-2024 | /3a-iprjohnphos/3a-iprjohnphos-22-c5 3a-iprjohnphos-22-c5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1954.00147530; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-09-c3 3d-cyjohnphos-09-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1934.78044010; Eh | |||
 | 6-Aug-2024 | /3f-davephos/3f-davephos-09-c3 3f-davephos-09-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2068.31598794; Eh | |||
 | 6-Aug-2024 | /3c-phdavephos/3c-phdavephos-02-ts-rxt-c1 3c-phdavephos-02-ts-rxt-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2239.23444195; Eh | |||
 | 6-Aug-2024 | /9g-pet3/9g-pet3-45-p1-h2o 9g-pet3-45-p1-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1821.09434586; Eh | |||
 | 6-Aug-2024 | /9f-pcpr3/9f-pcpr3-41-p1-boh3 9f-pcpr3-41-p1-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2224.87758519; Eh |
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