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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_32_opt | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | DEF2SVP | -999.771994820; Eh | |||
![]() | 31-Mar-2025 | H_29_opt | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | DEF2SVP | -999.781601207; Eh | |||
![]() | 31-Mar-2025 | H_37_opt | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | DEF2SVP | -999.761305200; Eh | |||
![]() | 31-Mar-2025 | H_24_opt | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | DEF2SVP | -999.790157460; Eh | |||
![]() | 31-Mar-2025 | H_06_opt | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | DEF2SVP | -999.799318990; Eh | |||
![]() | 31-Mar-2025 | H_02_opt | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | DEF2SVP | -999.788004622; Eh | |||
![]() | 31-Mar-2025 | H_08_opt | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | DEF2SVP | -999.765259832; Eh | |||
![]() | 31-Mar-2025 | H_15_opt | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | DEF2SVP | -999.769753649; Eh | |||
![]() | 31-Mar-2025 | H_27_opt | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | DEF2SVP | -999.803469920; Eh | |||
![]() | 31-Mar-2025 | H_34_opt | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | DEF2SVP | -999.792903133; Eh |
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