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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3v-tbudavephos/3v-tbudavephos-25-ts-t5-t6/3v-tbudavephos-25-ts-t5-t6-opt 3v-tbudavephos-25-ts-t5-t6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2168.17115515; Eh | |||
 | 26-Jan-2025 | /3v-tbudavephos/3v-tbudavephos-24-t5/3v-tbudavephos-24-t5-opt 3v-tbudavephos-24-t5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2168.18968285; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-00-lpdoh2/3w-tbuxphos-00-lpdoh2-opt 3w-tbuxphos-00-lpdoh2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3500.85281441; Eh | |||
 | 26-Jan-2025 | /3v-tbudavephos/3v-tbudavephos-99-lig/3v-tbudavephos-99-lig-opt 3v-tbudavephos-99-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1251.64497507; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-01-rxt/3w-tbuxphos-01-rxt-opt 3w-tbuxphos-01-rxt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2311.28179203; Eh | |||
 | 26-Jan-2025 | /3v-tbudavephos/3v-tbudavephos-25-ts-t5-t6/3v-tbudavephos-25-ts-t5-t6-orcasp 3v-tbudavephos-25-ts-t5-t6-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2165.79446849; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-00-lpdoh2/3w-tbuxphos-00-lpdoh2-orcasp 3w-tbuxphos-00-lpdoh2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -3496.63772631; Eh | |||
 | 26-Jan-2025 | /3v-tbudavephos/3v-tbudavephos-24-t5/3v-tbudavephos-24-t5-orcasp 3v-tbudavephos-24-t5-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2165.83183888; Eh | |||
 | 26-Jan-2025 | /3v-tbudavephos/3v-tbudavephos-99-lig/3v-tbudavephos-99-lig-orcasp 3v-tbudavephos-99-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1250.45018615; Eh | |||
 | 26-Jan-2025 | /3v-tbudavephos/3v-tbudavephos-23-ts-c5-c6/3v-tbudavephos-23-ts-c5-c6-opt 3v-tbudavephos-23-ts-c5-c6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2168.16721191; Eh |
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