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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-11-c4/3w-tbuxphos-11-c4-orcasp 3w-tbuxphos-11-c4-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2132.94261609; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-13-t1/3w-tbuxphos-13-t1-orcasp 3w-tbuxphos-13-t1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2308.61462852; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-07-ts-c2-c3/3w-tbuxphos-07-ts-c2-c3-opt 3w-tbuxphos-07-ts-c2-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2387.59989694; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-06-c2-h2o/3w-tbuxphos-06-c2-h2o-opt 3w-tbuxphos-06-c2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2387.61116597; 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 | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-08-c3-boh3/3w-tbuxphos-08-c3-boh3-opt 3w-tbuxphos-08-c3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2387.61727627; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-09-c3/3w-tbuxphos-09-c3-opt 3w-tbuxphos-09-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2135.55243369; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-07-ts-c2-c3/3w-tbuxphos-07-ts-c2-c3-orcasp 3w-tbuxphos-07-ts-c2-c3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2384.89171139; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-06-c2-h2o/3w-tbuxphos-06-c2-h2o-orcasp 3w-tbuxphos-06-c2-h2o-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2384.90951528; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-08-c3-boh3/3w-tbuxphos-08-c3-boh3-orcasp 3w-tbuxphos-08-c3-boh3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2384.91245053; Eh |
Results 3631-3640 of 5215 (Search time: 0.002 seconds).