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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 14-Mar-2025 | NOHCAV | Lledó, Agustí | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | DEF2SVP | -4478.38533462; Eh | |||
| 14-Mar-2025 | TC | Lledó, Agustí | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | DEF2SVP | -927.472914788; Eh | |||
| 14-Mar-2025 | NOH | Lledó, Agustí | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | DEF2SVP | -927.492286335; Eh | |||
| 14-Mar-2025 | I5 | Lledó, Agustí | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | DEF2SVP | -4939.13275363; Eh | |||
 | 31-Mar-2025 | Hept_100 | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP; RwB97XD | DEF2SVP DEF2TZVPP | -1154.0925965; Eh | |||
 | 31-Mar-2025 | Hept_71 | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP; RwB97XD | DEF2SVP DEF2TZVPP | -1154.0829884; Eh | |||
 | 31-Mar-2025 | Hept_74 | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP; RwB97XD | DEF2SVP DEF2TZVPP | -1154.0864664; Eh | |||
 | 31-Mar-2025 | Hept_78 | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP; RwB97XD | DEF2SVP DEF2TZVPP | -1154.0927881; Eh | |||
 | 31-Mar-2025 | Hept_64 | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP; RwB97XD | DEF2SVP DEF2TZVPP | -1154.0691072; Eh | |||
 | 31-Mar-2025 | Hept_18 | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP; RwB97XD | DEF2SVP DEF2TZVPP | -1154.0848784; Eh |
Results 1361-1370 of 1568 (Search time: 0.002 seconds).