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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-11-c4/3n-cymephos-11-c4-opt 3n-cymephos-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1976.23987326; Eh | |||
 | 5-May-2025 | /3t-tbujohnphos/3t-tbujohnphos-6cne18-ts-et2-et3/3t-tbujohnphos-6cne18-ts-et2-et3-orcasp 3t_tbujohnphos_6cne18_ts_et2_et3 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2358.15831535; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6ome20-ts-t3-t4/3e-pcy3-6ome20-ts-t3-t4-orcasp 3e_pcy3_6ome20_ts_t3_t4 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1822.17904235; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-12-ts-rxt-t1/3m-cyjohnphos-12-ts-rxt-t1-orcasp 3m-cyjohnphos-12-ts-rxt-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2110.40203737; Eh | |||
 | 26-Jan-2025 | /9g-pet3/9g-pet3-08-c3-boh3/9g-pet3-08-c3-boh3-orcasp 9g-pet3-08-c3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1493.36708649; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6ome21-t4/3e-pcy3-6ome21-t4-orcasp 3e_pcy3_6ome21_t4 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1822.22696898; Eh | |||
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6cn06-c2-h2o/3e-pcy3-6cn06-c2-h2o-opt 3e_pcy3_6cn06_c2_h2o | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2054.14956287; Eh | |||
 | 5-May-2025 | /3h-ptbu3/3h-ptbu3-6cne01-ecrxt/3h-ptbu3-6cne01-ecrxt-opt 3h_ptbu3_6cne01_ecrxt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1980.13333793; Eh | |||
 | 26-Jan-2025 | /3y-me4tbuxphos/3y-me4tbuxphos-06-c2-h2o/3y-me4tbuxphos-06-c2-h2o-orcasp 3y-me4tbuxphos-06-c2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2541.58440526; Eh | |||
 | 26-Jan-2025 | /3h-ptbu3/3h-ptbu3-23-ts-c5-c6/3h-ptbu3-23-ts-c5-c6-orcasp 3h-ptbu3-23-ts-c5-c6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1728.28907462; Eh |
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