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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-pcy3-6cne04-ts-ec1-ec2/3e-pcy3-6cne04-ts-ec1-ec2-opt 3e_pcy3_6cne04_ts_ec1_ec2 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2211.98319253; Eh | |||
 | 26-Jan-2025 | /3aa-adbrettphos/3aa-adbrettphos-16-t2-h2o/3aa-adbrettphos-16-t2-h2o-opt 3aa-adbrettphos-16-t2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3079.87844284; Eh | |||
 | 26-Jan-2025 | /3z-adjohnphos/3z-adjohnphos-16-t2-h2o/3z-adjohnphos-16-t2-h2o-opt 3z-adjohnphos-16-t2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2498.17169669; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-10-ts-c3-c4/3w-tbuxphos-10-ts-c3-c4-opt 3w-tbuxphos-10-ts-c3-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2135.50209872; Eh | |||
 | 5-May-2025 | /3h-ptbu3/3h-ptbu3-6cn13-t1/3h-ptbu3-6cn13-t1-opt 3h_ptbu3_6cn13_t1 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1745.93805345; Eh | |||
 | 5-May-2025 | /3m-cyjohnphos/3m-cyjohnphos-6omee02-ts-ecrxt-ec1/3m-cyjohnphos-6omee02-ts-ecrxt-ec1-orcasp 3m_cyjohnphos_6omee02_ts_ecrxt_ec1 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2458.49336558; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-20-ts-t3-t4/3n-cymephos-20-ts-t3-t4-orcasp 3n-cymephos-20-ts-t3-t4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1973.90396867; Eh | |||
 | 5-May-2025 | /3t-tbujohnphos/3t-tbujohnphos-6ome15-t2/3t-tbujohnphos-6ome15-t2-orcasp 3t_tbujohnphos_6ome15_t2 | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2070.28207839; Eh | |||
 | 5-May-2025 | /3h-ptbu3/3h-ptbu3-6ome18-t3-boh3/3h-ptbu3-6ome18-t3-boh3-opt 3h_ptbu3_6ome18_t3_boh3 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1844.50311943; Eh | |||
 | 26-Jan-2025 | /3k-phjohnphos/3k-phjohnphos-07-ts-c2-c3/3k-phjohnphos-07-ts-c2-c3-opt 3k-phjohnphos-07-ts-c2-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2181.89183032; Eh |
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