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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 8-Jan-2024 | im2-tz | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UB3LYP | DEF2TZVP | -2468.5921096; Eh | |||
 | 8-Jan-2024 | cisb-cisc-tz | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UB3LYP | DEF2TZVP | -2468.6196978; Eh | |||
 | 8-Jan-2024 | cisc-cisd-tz | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UB3LYP | DEF2TZVP | -2468.619555; Eh | |||
 | 8-Jan-2024 | cisa-cisb-tz | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UB3LYP | DEF2TZVP | -2468.6235367; Eh | |||
 | 8-Jan-2024 | cisd-cis-tz | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UB3LYP | DEF2TZVP | -2468.618912; Eh | |||
 | 8-Jan-2024 | cisc-tz | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UB3LYP | DEF2TZVP | -2468.6204448; Eh | |||
 | 8-Jan-2024 | cisb-tz | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UB3LYP | DEF2TZVP | -2468.6244882; Eh | |||
 | 8-Jan-2024 | cisd-tz | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UB3LYP | DEF2TZVP | -2468.623815; Eh | |||
 | 8-Jan-2024 | cisa-tz | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UB3LYP | DEF2TZVP | -2468.6286784; Eh | |||
 | 18-May-2024 | /electro-Sn/Fe5Mn0/S2 S2-opt | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UB3LYP | DEF2TZVP DEF2SVP GEN | -10709.4419035; Eh |
Results 611-620 of 622 (Search time: 0.002 seconds).