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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3t-tbujohnphos/3t-tbujohnphos-50-cl-ref/3t-tbujohnphos-50-cl-ref-orcasp 3t-tbujohnphos-50-cl-ref-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2512.58495647; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-56-oh-ref/3m-cyjohnphos-56-oh-ref-orcasp 3m-cyjohnphos-56-oh-ref-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1625.82134082; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-19-t3/3n-cymephos-19-t3-orcasp 3n-cymephos-19-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1973.94737657; Eh | |||
 | 5-May-2025 | /3h-ptbu3/3h-ptbu3-6cn16-t2-h2o/3h-ptbu3-6cn16-t2-h2o-opt 3h_ptbu3_6cn16_t2_h2o | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1822.26092095; Eh | |||
 | 26-Jan-2025 | /3e-pcy3/3e-pcy3-12-ts-rxt-t1/3e-pcy3-12-ts-rxt-t1-opt 3e-pcy3-12-ts-rxt-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1885.71234583; Eh | |||
 | 26-Jan-2025 | /9g-pet3/9g-pet3-20-ts-t3-t4/9g-pet3-20-ts-t3-t4-opt 9g-pet3-20-ts-t3-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1242.73087958; Eh | |||
 | 26-Jan-2025 | /9f-pcpr3/9f-pcpr3-03-c1/9f-pcpr3-03-c1-opt 9f-pcpr3-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1532.50694303; Eh | |||
 | 5-May-2025 | /3t-tbujohnphos/3t-tbujohnphos-6cn04-ts-c1-c2/3t-tbujohnphos-6cn04-ts-c1-c2-orcasp 3t_tbujohnphos_6cn04_ts_c1_c2 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2048.00814164; Eh | |||
 | 26-Jan-2025 | /3e-pcy3/3e-pcy3-97-ts-hc4-lpd0/3e-pcy3-97-ts-hc4-lpd0-orcasp 3e-pcy3-97-ts-hc4-lpd0-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1940.13208081; Eh | |||
 | 26-Jan-2025 | /3j-iprjohnphos/3j-iprjohnphos-00-lpdoh2/3j-iprjohnphos-00-lpdoh2-orcasp 3j-iprjohnphos-00-lpdoh2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2634.79583405; Eh |
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