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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3e-cymephos/3e-cymephos-11-c4 3e-cymephos-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1976.23987326; Eh | |||
 | 6-Aug-2024 | /2k-pad3/2k-pad3-05-c2 2k-pad3-05-c2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2346.71948288; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-17-ts-t2-t3/3c-pipr3-17-ts-t2-t3-opt 3c-pipr3-17-ts-t2-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1612.48317576; Eh | |||
 | 26-Jan-2025 | /3h-ptbu3/3h-ptbu3-08-c3-boh3/3h-ptbu3-08-c3-boh3-opt 3h-ptbu3-08-c3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1730.20747424; Eh | |||
 | 26-Jan-2025 | /9b-cptjohnphos/9b-cptjohnphos-11-c4/9b-cptjohnphos-11-c4-opt 9b-cptjohnphos-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1858.52565647; Eh | |||
 | 26-Jan-2025 | /3k-phjohnphos/3k-phjohnphos-22-c5/3k-phjohnphos-22-c5-opt 3k-phjohnphos-22-c5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2181.88777532; Eh | |||
 | 26-Jan-2025 | /3e-pcy3/3e-pcy3-91-hc2/3e-pcy3-91-hc2-opt 3e-pcy3-91-hc2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2194.59411879; Eh | |||
 | 26-Jan-2025 | /3t-tbujohnphos/3t-tbujohnphos-40-ts-t2-p1/3t-tbujohnphos-40-ts-t2-p1-orcasp 3t-tbujohnphos-40-ts-t2-p1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3072.89072762; Eh | |||
 | 26-Jan-2025 | /3k-phjohnphos/3k-phjohnphos-17-ts-t2-t3/3k-phjohnphos-17-ts-t2-t3-orcasp 3k-phjohnphos-17-ts-t2-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2179.56276174; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-10-ts-c3-c4/3n-cymephos-10-ts-c3-c4-orcasp 3n-cymephos-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1973.89875163; Eh |
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