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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 8-Jan-2024 | cisb | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UB3LYP | DEF2SVP | -2466.45679466; Eh | |||
 | 8-Jan-2024 | cisc | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UB3LYP | DEF2SVP | -2466.45302054; Eh | |||
 | 8-Jan-2024 | cisd | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UB3LYP | DEF2SVP | -2466.45635920; Eh | |||
 | 8-Jan-2024 | im1 | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UB3LYP | DEF2SVP | -2466.42430873; Eh | |||
 | 8-Jan-2024 | cis | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UB3LYP | DEF2SVP | -2466.45241788; 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/ac3 ac3-opt | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UB3LYP | DEF2TZVP DEF2SVP GEN | -10372.2604254; Eh | |||
| 17-May-2024 | /thermal/Fe3Mn2/aa2 aa2-opt | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UB3LYP | DEF2TZVP DEF2SVP GEN | -10484.9542671; Eh | |||
| 17-May-2024 | /thermal/Fe4Mn1/c2 c2-opt | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UB3LYP | DEF2TZVP DEF2SVP GEN | -10597.6640521; Eh | |||
 | 8-Jan-2024 | cisa | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UB3LYP | DEF2SVP | -2466.46094546; Eh |
Results 1-10 of 73 (Search time: 0.002 seconds).