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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-31-xb/3w-tbuxphos-31-xb-opt 3w-tbuxphos-31-xb-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2059.24763438; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-30-ts-t2-xb/3w-tbuxphos-30-ts-t2-xb-orcasp 3w-tbuxphos-30-ts-t2-xb-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2308.61683969; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-33-ts-rxt-ya/3w-tbuxphos-33-ts-rxt-ya-orcasp 3w-tbuxphos-33-ts-rxt-ya-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2308.60709291; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-29-ts-xa-t3/3w-tbuxphos-29-ts-xa-t3-orcasp 3w-tbuxphos-29-ts-xa-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2132.94912614; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-32-ts-xb-t3/3w-tbuxphos-32-ts-xb-t3-orcasp 3w-tbuxphos-32-ts-xb-t3-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2132.94987106; 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 | /3w-tbuxphos/3w-tbuxphos-27-ts-t2-xa/3w-tbuxphos-27-ts-t2-xa-opt 3w-tbuxphos-27-ts-t2-xa-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2311.27092809; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-29-ts-xa-t3/3w-tbuxphos-29-ts-xa-t3-opt 3w-tbuxphos-29-ts-xa-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2135.51846466; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-25-ts-t5-t6/3w-tbuxphos-25-ts-t5-t6-opt 3w-tbuxphos-25-ts-t5-t6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2387.56894047; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-24-t5/3w-tbuxphos-24-t5-opt 3w-tbuxphos-24-t5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2387.59091769; Eh |
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