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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-May-2024 | /electro-Sn/Fe2Mn3/S1-2C S1-2C-opt | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UB3LYP | DEF2TZVP DEF2SVP GEN | -10371.8619819; Eh | |||
| 18-May-2024 | /electro-Sn/Fe4Mn1/S2-4D S2-4D-opt | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UB3LYP | DEF2TZVP DEF2SVP GEN | -10596.7365642; Eh | |||
| 18-May-2024 | /electro-Sn/Fe4Mn1/S4-4G S4-4G-opt | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UB3LYP | DEF2TZVP DEF2SVP GEN | -10595.4837604; Eh | |||
| 18-May-2024 | /electro-Sn/Fe4Mn1/S3-4F S3-4F-opt | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UB3LYP | DEF2TZVP DEF2SVP GEN | -10596.1447315; Eh | |||
| 18-May-2024 | /electro-Sn/Fe5Mn0/S0 S0-opt | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UB3LYP | DEF2TZVP DEF2SVP GEN | -10710.3479633; Eh | |||
| 17-May-2024 | /thermal/Fe2Mn3/aa2 aa2-opt | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UB3LYP | DEF2TZVP DEF2SVP GEN | -10372.2638470; Eh | |||
| 17-May-2024 | /thermal/Fe2Mn3/ac1 ac1-opt | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UB3LYP | DEF2TZVP DEF2SVP GEN | -10372.2506074; Eh | |||
| 17-May-2024 | /thermal/Fe2Mn3/aa1 aa1-opt | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UB3LYP | DEF2TZVP DEF2SVP GEN | -10372.2505405; Eh | |||
| 17-May-2024 | /thermal/Fe1Mn4/c2 c2-opt | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UB3LYP | DEF2TZVP DEF2SVP GEN | -10259.5704192; Eh | |||
| 17-May-2024 | /thermal/Fe1Mn4/c1 c1-opt | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UB3LYP | DEF2TZVP DEF2SVP GEN | -10259.5533029; Eh |
Results 41-50 of 73 (Search time: 0.001 seconds).