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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_101 | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP; RwB97XD | DEF2SVP DEF2TZVPP | -1154.0663448; Eh | |||
 | 31-Mar-2025 | Hept_06 | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP; RwB97XD | DEF2SVP DEF2TZVPP | -1154.0891596; Eh | |||
 | 31-Mar-2025 | H_05_opt | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | DEF2SVP | -999.787611040; Eh | |||
 | 31-Mar-2025 | H_31_opt | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | DEF2SVP | -999.859466309; Eh | |||
 | 31-Mar-2025 | Hept_118 | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP; RwB97XD | DEF2SVP DEF2TZVPP | -1154.0690811; Eh | |||
 | 31-Mar-2025 | Hept_34 | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP; RwB97XD | DEF2SVP DEF2TZVPP | -1154.0795002; Eh | |||
 | 31-Mar-2025 | Hept_48 | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP; RwB97XD | DEF2SVP DEF2TZVPP | -1154.0755077; Eh | |||
 | 31-Mar-2025 | Hept_91 | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP; RwB97XD | DEF2SVP DEF2TZVPP | -1154.0797529; Eh | |||
 | 31-Mar-2025 | Hept_77 | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP; RwB97XD | DEF2SVP DEF2TZVPP | -1154.079528; Eh | |||
 | 31-Mar-2025 | Hept_109 | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP; RwB97XD | DEF2SVP DEF2TZVPP | -1154.0678822; Eh |
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- 290 polybenzoids