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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 31-Mar-2025 | Hept_113 | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP; RwB97XD | DEF2SVP DEF2TZVPP | -1154.0979609; Eh | |||
 | 31-Mar-2025 | Hept_102 | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP; RwB97XD | DEF2SVP DEF2TZVPP | -1154.08604; Eh | |||
 | 31-Mar-2025 | H_35_opt | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | DEF2SVP | -999.812876981; Eh | |||
 | 31-Mar-2025 | H_34_opt | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | DEF2SVP | -999.859527888; Eh | |||
 | 31-Mar-2025 | Hept_106 | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP; RwB97XD | DEF2SVP DEF2TZVPP | -1154.0713784; Eh | |||
 | 31-Mar-2025 | Hept_39 | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP; RwB97XD | DEF2SVP DEF2TZVPP | -1154.0793314; Eh | |||
 | 31-Mar-2025 | Hept_55 | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP; RwB97XD | DEF2SVP DEF2TZVPP | -1154.0831756; Eh | |||
 | 31-Mar-2025 | Hept_52 | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP; RwB97XD | DEF2SVP DEF2TZVPP | -1154.0839181; Eh | |||
 | 31-Mar-2025 | Hept_83 | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP; RwB97XD | DEF2SVP DEF2TZVPP | -1154.0944959; Eh | |||
 | 31-Mar-2025 | Hept_08 | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP; RwB97XD | DEF2SVP DEF2TZVPP | -1154.06836; Eh |
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