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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 17-May-2024 | /thermal/Fe2Mn3/cc2 cc2-opt | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UB3LYP | DEF2TZVP DEF2SVP GEN | -10372.2704897; Eh | |||
| 17-May-2024 | /thermal/Fe2Mn3/ac2 ac2-opt | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UB3LYP | DEF2TZVP DEF2SVP GEN | -10372.2451960; Eh | |||
| 17-May-2024 | /thermal/Fe2Mn3/ac3 ac3-opt | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UB3LYP | DEF2TZVP DEF2SVP GEN | -10372.2604254; Eh | |||
| 17-May-2024 | /thermal/Fe2Mn3/cc1 cc1-opt | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UB3LYP | DEF2TZVP DEF2SVP GEN | -10372.2539800; Eh | |||
| 18-May-2024 | /electro-Sn/Fe1Mn4/S3-1D S3-1D-opt | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UB3LYP | DEF2TZVP DEF2SVP GEN | -10258.0831284; Eh | |||
| 18-May-2024 | /electro-Sn/Fe1Mn4/S4-1E S4-1E-opt | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UB3LYP | DEF2TZVP DEF2SVP GEN | -10257.4124584; Eh | |||
| 18-May-2024 | /electro-Sn/Fe1Mn4/S2-1C S2-1C-opt | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UB3LYP | DEF2TZVP DEF2SVP GEN | -10258.6630085; Eh | |||
| 18-May-2024 | /electro-Sn/Fe2Mn3/S0 S0-opt | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UB3LYP | DEF2TZVP DEF2SVP GEN | -10372.2638470; Eh | |||
| 18-May-2024 | /electro-Sn/Fe3Mn2/S4-3J S4-3J-opt | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UB3LYP | DEF2TZVP DEF2SVP GEN | -10482.7965360; Eh | |||
| 18-May-2024 | /electro-Sn/Fe4Mn1/S1-4B S1-4B-opt | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UB3LYP | DEF2TZVP DEF2SVP GEN | -10597.2443830; Eh |
Results 61-70 of 73 (Search time: 0.002 seconds).