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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-64-ts-t3ob-t4ob/3w-tbuxphos-64-ts-t3ob-t4ob-opt 3w-tbuxphos-64-ts-t3ob-t4ob-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2311.26833523; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-66-ts-t2-t4ob/3w-tbuxphos-66-ts-t2-t4ob-opt 3w-tbuxphos-66-ts-t2-t4ob-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2311.25836836; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-67-t4ob-h2o/3w-tbuxphos-67-t4ob-h2o-opt 3w-tbuxphos-67-t4ob-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2387.61412205; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-65-t4ob/3w-tbuxphos-65-t4ob-opt 3w-tbuxphos-65-t4ob-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2311.29724269; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-63-t3ob/3w-tbuxphos-63-t3ob-opt 3w-tbuxphos-63-t3ob-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2311.29612208; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-64-ts-t3ob-t4ob/3w-tbuxphos-64-ts-t3ob-t4ob-orcasp 3w-tbuxphos-64-ts-t3ob-t4ob-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2308.60408252; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-66-ts-t2-t4ob/3w-tbuxphos-66-ts-t2-t4ob-orcasp 3w-tbuxphos-66-ts-t2-t4ob-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2308.59135838; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-63-t3ob/3w-tbuxphos-63-t3ob-orcasp 3w-tbuxphos-63-t3ob-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2308.64471543; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-65-t4ob/3w-tbuxphos-65-t4ob-orcasp 3w-tbuxphos-65-t4ob-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2308.64837083; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-60-ts-t2-t3ob/3w-tbuxphos-60-ts-t2-t3ob-opt 3w-tbuxphos-60-ts-t2-t3ob-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2463.89523008; Eh |
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