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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2025 | /3a-pph3/3a-pph3-02-ts-rxt-c1/3a-pph3-02-ts-rxt-c1-opt 3a-pph3-02-ts-rxt-c1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1874.90678838; Eh | |||
 | 26-Jan-2025 | /3a-pph3/3a-pph3-01-rxt/3a-pph3-01-rxt-orcasp 3a-pph3-01-rxt-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1872.97609851; Eh | |||
 | 26-Jan-2025 | /3a-pph3/3a-pph3-01-rxt/3a-pph3-01-rxt-opt 3a-pph3-01-rxt-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1874.92461123; Eh | |||
 | 26-Jan-2025 | /3a-pph3/3a-pph3-00-lpdoh2/3a-pph3-00-lpdoh2-orcasp 3a-pph3-00-lpdoh2-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -2625.34459019; Eh | |||
 | 26-Jan-2025 | /3a-pph3/3a-pph3-00-lpdoh2/3a-pph3-00-lpdoh2-opt 3a_pph3_00_lpdoh2 | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2628.13954857; Eh |
Results 5211-5215 of 5215 (Search time: 0.003 seconds).