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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-17-ts-t2-t3/3n-cymephos-17-ts-t2-t3-orcasp 3n-cymephos-17-ts-t2-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2225.84870970; Eh | |||
 | 26-Jan-2025 | /9b-cptjohnphos/9b-cptjohnphos-11-c4/9b-cptjohnphos-11-c4-orcasp 9b-cptjohnphos-11-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1856.37696474; Eh | |||
 | 5-May-2025 | /3h-ptbu3/3h-ptbu3-6omee13-ts-etrxt-et1/3h-ptbu3-6omee13-ts-etrxt-et1-opt 3h_ptbu3_6omee13_ts_etrxt_et1 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2002.35522959; Eh | |||
 | 26-Jan-2025 | /3h-ptbu3/3h-ptbu3-90-ts-hc1-hc2/3h-ptbu3-90-ts-hc1-hc2-opt 3h-ptbu3-90-ts-hc1-hc2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1962.72079238; Eh | |||
 | 26-Jan-2025 | /9e-pcbu3/9e-pcbu3-15-t2/9e-pcbu3-15-t2-opt 9e-pcbu3-15-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1650.22276513; Eh | |||
 | 26-Jan-2025 | /3s-brettphos/3s-brettphos-37-yb/3s-brettphos-37-yb-opt 3s-brettphos-37-yb-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2770.79945498; Eh | |||
 | 26-Jan-2025 | /9g-pet3/9g-pet3-12-ts-rxt-t1/9g-pet3-12-ts-rxt-t1-orcasp 9g-pet3-12-ts-rxt-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1417.04295249; Eh | |||
 | 5-May-2025 | /3t-tbujohnphos/3t-tbujohnphos-6cne05-ec2/3t-tbujohnphos-6cne05-ec2-orcasp 3t_tbujohnphos_6cne05_ec2 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2281.94779687; Eh | |||
 | 26-Jan-2025 | /3i-pad3/3i-pad3-17-ts-t2-t3/3i-pad3-17-ts-t2-t3-orcasp 3i-pad3-17-ts-t2-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2422.93055034; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-00-lpdoh2/3w-tbuxphos-00-lpdoh2-orcasp 3w-tbuxphos-00-lpdoh2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3496.63772631; Eh |
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