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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-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 | |||
 | 26-Jan-2025 | /3v-tbudavephos/3v-tbudavephos-03-c1/3v-tbudavephos-03-c1-orcasp 3v-tbudavephos-03-c1-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2089.54268638; Eh | |||
 | 26-Jan-2025 | /3l-phdavephos/3l-phdavephos-24-t5/3l-phdavephos-24-t5-orcasp 3l-phdavephos-24-t5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2313.10911112; Eh | |||
 | 26-Jan-2025 | /3u-tbumephos/3u-tbumephos-19-t3/3u-tbumephos-19-t3-orcasp 3u-tbumephos-19-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1819.56167376; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-31-xb/3w-tbuxphos-31-xb-orcasp 3w-tbuxphos-31-xb-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2056.71049447; Eh | |||
 | 26-Jan-2025 | /3t-tbujohnphos/3t-tbujohnphos-07-ts-c2-c3/3t-tbujohnphos-07-ts-c2-c3-opt 3t-tbujohnphos-07-ts-c2-c3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2034.50991173; Eh | |||
 | 26-Jan-2025 | /3t-tbujohnphos/3t-tbujohnphos-01-rxt/3t-tbujohnphos-01-rxt-opt 3t-tbujohnphos-01-rxt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1958.17956001; Eh | |||
 | 26-Jan-2025 | /3x-tbubrettphos/3x-tbubrettphos-68-ts-t4ob-t4-4mps/3x-tbubrettphos-68-ts-t4ob-t4-4mps-orcasp 3x-tbubrettphos-68-ts-t4ob-t4-4mps-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2613.28623200; Eh | |||
 | 26-Jan-2025 | /3h-ptbu3/3h-ptbu3-24-t5/3h-ptbu3-24-t5-opt 3h-ptbu3-24-t5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1730.15890657; Eh | |||
 | 26-Jan-2025 | /3p-sphos/3p-sphos-15-t2/3p-sphos-15-t2-opt 3p-sphos-15-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2341.39518343; Eh |
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