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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3y-me4tbuxphos/3y-me4tbuxphos-17-ts-t2-t3/3y-me4tbuxphos-17-ts-t2-t3-orcasp 3y-me4tbuxphos-17-ts-t2-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2541.53654147; Eh | |||
 | 26-Jan-2025 | /3z-adjohnphos/3z-adjohnphos-12-ts-rxt-t1/3z-adjohnphos-12-ts-rxt-t1-orcasp 3z-adjohnphos-12-ts-rxt-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2419.09558275; Eh | |||
 | 26-Jan-2025 | /3h-ptbu3/3h-ptbu3-10-ts-c3-c4/3h-ptbu3-10-ts-c3-c4-orcasp 3h-ptbu3-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1476.37047558; Eh | |||
 | 26-Jan-2025 | /3d-pcpt3/3d-pcpt3-01-rxt/3d-pcpt3-01-rxt-orcasp 3d-pcpt3-01-rxt-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1766.10382121; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6cne07-ts-ec2-ec3/3e-pcy3-6cne07-ts-ec2-ec3-opt 3e_pcy3_6cne07_ts_ec2_ec3 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2288.33931350; Eh | |||
 | 26-Jan-2025 | /3f-pcy2tbu/3f-pcy2tbu-23-ts-c5-c6/3f-pcy2tbu-23-ts-c5-c6-opt 3f-pcy2tbu-23-ts-c5-c6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1884.73590334; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-04-ts-c1-c2/3n-cymephos-04-ts-c1-c2-opt 3n-cymephos-04-ts-c1-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2151.96696236; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-42-p1/3m-cyjohnphos-42-p1-opt 3m-cyjohnphos-42-p1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3133.27658411; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-05-c2/3n-cymephos-05-c2-opt 3n-cymephos-05-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2152.02499879; Eh | |||
 | 26-Jan-2025 | /3y-me4tbuxphos/3y-me4tbuxphos-79-t5ob-2h2o/3y-me4tbuxphos-79-t5ob-2h2o-orcasp 3y-me4tbuxphos-79-t5ob-2h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2233.16659287; Eh |
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