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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 5-May-2025 | /3e-pcy3/3e-pcy3-6cne02-ts-ecrxt-ec1/3e-pcy3-6cne02-ts-ecrxt-ec1-orcasp 3e_pcy3_6cne02_ts_ecrxt_ec1 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2209.49957777; Eh | |||
 | 26-Jan-2025 | /9h-pme3/9h-pme3-16-t2-h2o/9h-pme3-16-t2-h2o-orcasp 9h-pme3-16-t2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1375.80238394; Eh | |||
 | 26-Jan-2025 | /3r-xphos/3r-xphos-17-ts-t2-t3/3r-xphos-17-ts-t2-t3-orcasp 3r-xphos-17-ts-t2-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2539.26032442; Eh | |||
 | 26-Jan-2025 | /9f-pcpr3/9f-pcpr3-08-c3-boh3/9f-pcpr3-08-c3-boh3-orcasp 9f-pcpr3-08-c3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1607.25014266; Eh | |||
 | 5-May-2025 | /3m-cyjohnphos/3m-cyjohnphos-6cn10-ts-c3-c4/3m-cyjohnphos-6cn10-ts-c3-c4-opt 3m_cyjohnphos_6cn10_ts_c3_c4 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2029.05973716; Eh | |||
 | 26-Jan-2025 | /9b-cptjohnphos/9b-cptjohnphos-07-ts-c2-c3/9b-cptjohnphos-07-ts-c2-c3-opt 9b-cptjohnphos-07-ts-c2-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2110.60438833; Eh | |||
 | 5-May-2025 | /3h-ptbu3/3h-ptbu3-6omee14-et1/3h-ptbu3-6omee14-et1-opt 3h_ptbu3_6omee14_et1 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2002.37139155; Eh | |||
 | 26-Jan-2025 | /3i-pad3/3i-pad3-09-c3/3i-pad3-09-c3-opt 3i-pad3-09-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2173.65966527; Eh | |||
 | 26-Jan-2025 | /3x-tbubrettphos/3x-tbubrettphos-30-ts-t2-xb/3x-tbubrettphos-30-ts-t2-xb-orcasp 3x-tbubrettphos-30-ts-t2-xb-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2537.05432104; Eh | |||
 | 26-Jan-2025 | /3m-cyjohnphos/3m-cyjohnphos-23-ts-c5-c6/3m-cyjohnphos-23-ts-c5-c6-orcasp 3m-cyjohnphos-23-ts-c5-c6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2186.65597379; Eh |
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