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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3d-pcpt3/3d-pcpt3-13-t1/3d-pcpt3-13-t1-orcasp 3d-pcpt3-13-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1766.09487025; Eh | |||
 | 26-Jan-2025 | /3q-ruphos/3q-ruphos-21-t4/3q-ruphos-21-t4-orcasp 3q-ruphos-21-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2319.94193537; Eh | |||
 | 5-May-2025 | /3t-tbujohnphos/3t-tbujohnphos-6omee04-ts-ec1-ec2/3t-tbujohnphos-6omee04-ts-ec1-ec2-opt 3t_tbujohnphos_6omee04_ts_ec1_ec2 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2306.65682189; Eh | |||
 | 5-May-2025 | /3m-cyjohnphos/3m-cyjohnphos-6cne08-ec3-bpinoh/3m-cyjohnphos-6cne08-ec3-bpinoh-opt 3m_cyjohnphos_6cne08_ec3_bpinoh | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2515.37820537; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-18-t3-boh3/3s-brettphos-18-t3-boh3-opt 3s-brettphos-18-t3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2770.79775920; Eh | |||
 | 26-Jan-2025 | /9g-pet3/9g-pet3-10-ts-c3-c4/9g-pet3-10-ts-c3-c4-opt 9g-pet3-10-ts-c3-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1242.73911662; Eh | |||
 | 26-Jan-2025 | /3u-tbumephos/3u-tbumephos-10-ts-c3-c4/3u-tbumephos-10-ts-c3-c4-orcasp 3u-tbumephos-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1819.51426465; Eh | |||
 | 26-Jan-2025 | /3a-pph3/3a-pph3-14-ts-t1-t2/3a-pph3-14-ts-t1-t2-orcasp 3a-pph3-14-ts-t1-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1872.95953521; Eh | |||
 | 26-Jan-2025 | /3r-xphos/3r-xphos-02-ts-rxt-c1/3r-xphos-02-ts-rxt-c1-orcasp 3r-xphos-02-ts-rxt-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2462.98634516; Eh | |||
 | 5-May-2025 | /3m-cyjohnphos/3m-cyjohnphos-6ome09-c3/3m-cyjohnphos-6ome09-c3-orcasp 3m_cyjohnphos_6ome09_c3 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2049.00971205; Eh |
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