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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Aug-2024 | /3l-tbumephos/3l-tbumephos-24-t5 3l-tbumephos-24-t5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2073.71272146; Eh | |||
 | 6-Aug-2024 | /9h-pme3/9h-pme3-15-t2 9h-pme3-15-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1300.80570744; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-15-t2 3d-cyjohnphos-15-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2110.43795800; Eh | |||
 | 6-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-21-t4 3d-cyjohnphos-21-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1934.76837191; Eh | |||
 | 7-Aug-2024 | /3d-cyjohnphos/3d-cyjohnphos-45-p1-h2o 3d-cyjohnphos-45-p1-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3209.56969702; Eh | |||
 | 6-Aug-2024 | /9d-mejohnphos/9d-mejohnphos-05-c2 9d-mejohnphos-05-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1722.84108021; Eh | |||
 | 6-Aug-2024 | /9h-pme3/9h-pme3-09-c3 9h-pme3-09-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1125.08725367; Eh | |||
 | 6-Aug-2024 | /3n-tbuxphos/3n-tbuxphos-65-ts-t3ob-1h2o-t4ob 3n-tbuxphos-65-ts-t3ob-1h2o-t4ob-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2000.18569532; Eh | |||
 | 6-Aug-2024 | /9a-cbujohnphos/9a-cbujohnphos-02-ts-rxt-c1 9a-cbujohnphos-02-ts-rxt-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1953.60655265; Eh | |||
 | 6-Aug-2024 | /3p-me4tbuxphos/3p-me4tbuxphos-10-ts-c3-c4 3p-me4tbuxphos-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2289.59188923; Eh |
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