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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-16-t2-h2o/3w-tbuxphos-16-t2-h2o-orcasp 3w-tbuxphos-16-t2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2384.89055770; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-18-t3-boh3/3w-tbuxphos-18-t3-boh3-orcasp 3w-tbuxphos-18-t3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2384.90497431; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-15-t2/3w-tbuxphos-15-t2-orcasp 3w-tbuxphos-15-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2308.63862889; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-12-ts-rxt-t1/3w-tbuxphos-12-ts-rxt-t1-opt 3w-tbuxphos-12-ts-rxt-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2311.24658896; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-14-ts-t1-t2/3w-tbuxphos-14-ts-t1-t2-opt 3w-tbuxphos-14-ts-t1-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2311.26439345; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-11-c4/3w-tbuxphos-11-c4-opt 3w-tbuxphos-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2135.51785886; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-13-t1/3w-tbuxphos-13-t1-opt 3w-tbuxphos-13-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2311.27618358; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-12-ts-rxt-t1/3w-tbuxphos-12-ts-rxt-t1-orcasp 3w-tbuxphos-12-ts-rxt-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2308.60155333; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-14-ts-t1-t2/3w-tbuxphos-14-ts-t1-t2-orcasp 3w-tbuxphos-14-ts-t1-t2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2308.60189872; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-10-ts-c3-c4/3w-tbuxphos-10-ts-c3-c4-orcasp 3w-tbuxphos-10-ts-c3-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2132.91438499; Eh |
Results 3621-3630 of 5215 (Search time: 0.005 seconds).