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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3z-adjohnphos/3z-adjohnphos-10-ts-c3-c4/3z-adjohnphos-10-ts-c3-c4-opt 3z-adjohnphos-10-ts-c3-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2246.08637751; Eh | |||
 | 5-May-2025 | /3m-cyjohnphos/3m-cyjohnphos-6cn03-c1/3m-cyjohnphos-6cn03-c1-opt 3m_cyjohnphos_6cn03_c1 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2204.81556490; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-03-c1/3p-sphos-03-c1-opt 3p-sphos-03-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2341.37592710; Eh | |||
 | 26-Jan-2025 | /3t-tbujohnphos/3t-tbujohnphos-17-ts-t2-t3/3t-tbujohnphos-17-ts-t2-t3-orcasp 3t-tbujohnphos-17-ts-t2-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2032.29185413; Eh | |||
 | 26-Jan-2025 | /3aa-adbrettphos/3aa-adbrettphos-37-yb/3aa-adbrettphos-37-yb-orcasp 3aa-adbrettphos-37-yb-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3076.39903016; Eh | |||
 | 26-Jan-2025 | /3k-phjohnphos/3k-phjohnphos-15-t2/3k-phjohnphos-15-t2-orcasp 3k-phjohnphos-15-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2103.32405324; Eh | |||
 | 26-Jan-2025 | /9g-pet3/9g-pet3-09-c3/9g-pet3-09-c3-orcasp 9g-pet3-09-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1241.42065491; Eh | |||
 | 26-Jan-2025 | /9g-pet3/9g-pet3-19-t3/9g-pet3-19-t3-orcasp 9g-pet3-19-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1241.39849036; Eh | |||
 | 5-May-2025 | /3t-tbujohnphos/3t-tbujohnphos-6omee13-ts-etrxt-et1/3t-tbujohnphos-6omee13-ts-etrxt-et1-opt 3t_tbujohnphos_6omee13_ts_etrxt_et1 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2306.66330971; Eh | |||
 | 26-Jan-2025 | /3z-adjohnphos/3z-adjohnphos-14-ts-t1-t2/3z-adjohnphos-14-ts-t1-t2-opt 3z-adjohnphos-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2421.83533679; Eh |
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