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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 31-Mar-2025 | H_24_spe | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | UwB97XD | DEF2TZVPP | -1000.3656458; Eh | ||||
| 31-Mar-2025 | H_17_spe | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | UwB97XD | DEF2TZVPP | -1000.3708225; Eh | ||||
| 31-Mar-2025 | H_16_spe | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | UwB97XD | DEF2TZVPP | -1000.3668603; Eh | ||||
| 31-Mar-2025 | H_20_spe | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | UwB97XD | DEF2TZVPP | -1000.3480382; Eh | ||||
| 31-Mar-2025 | H_22_spe | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | UwB97XD | DEF2TZVPP | -1000.3453023; Eh | ||||
| 31-Mar-2025 | H_11_spe | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | UwB97XD | DEF2TZVPP | -1000.3448147; Eh | ||||
| 31-Mar-2025 | H_09_spe | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | UwB97XD | DEF2TZVPP | -1000.3801554; Eh | ||||
| 31-Mar-2025 | H_31_spe | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | UwB97XD | DEF2TZVPP | -1000.3828511; Eh | ||||
| 31-Mar-2025 | H_37_spe | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | UwB97XD | DEF2TZVPP | -1000.3364152; Eh | ||||
| 31-Mar-2025 | H_14_spe | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | UwB97XD | DEF2TZVPP | -1000.3582141; Eh |
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