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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /3e-cymephos/3e-cymephos-11-c4 3e-cymephos-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1976.23987326; Eh | |||
 | 26-Jan-2025 | /3c-pipr3/3c-pipr3-17-ts-t2-t3/3c-pipr3-17-ts-t2-t3-opt 3c-pipr3-17-ts-t2-t3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1612.48317576; Eh | |||
 | 26-Jan-2025 | /3h-ptbu3/3h-ptbu3-08-c3-boh3/3h-ptbu3-08-c3-boh3-opt 3h-ptbu3-08-c3-boh3-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1730.20747424; Eh | |||
 | 26-Jan-2025 | /9b-cptjohnphos/9b-cptjohnphos-11-c4/9b-cptjohnphos-11-c4-opt 9b-cptjohnphos-11-c4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1858.52565647; Eh | |||
 | 26-Jan-2025 | /3k-phjohnphos/3k-phjohnphos-22-c5/3k-phjohnphos-22-c5-opt 3k-phjohnphos-22-c5-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2181.88777532; Eh | |||
 | 26-Jan-2025 | /3e-pcy3/3e-pcy3-91-hc2/3e-pcy3-91-hc2-opt 3e-pcy3-91-hc2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2194.59411879; Eh | |||
 | 26-Jan-2025 | /3w-tbuxphos/3w-tbuxphos-30-ts-t2-xb/3w-tbuxphos-30-ts-t2-xb-opt 3w-tbuxphos-30-ts-t2-xb-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2311.27263435; Eh | |||
 | 26-Jan-2025 | /9h-pme3/9h-pme3-39-t2-lig/9h-pme3-39-t2-lig-opt 9h-pme3-39-t2-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1761.40699657; Eh | |||
 | 26-Jan-2025 | /3n-cymephos/3n-cymephos-99-lig/3n-cymephos-99-lig-opt 3n-cymephos-99-lig-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1311.73956063; Eh | |||
 | 26-Jan-2025 | /3v-tbudavephos/3v-tbudavephos-20-ts-t3-t4/3v-tbudavephos-20-ts-t3-t4-opt 3v-tbudavephos-20-ts-t3-t4-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1916.11859723; Eh |
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