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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-cisc | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization TS | UB3LYP | DEF2SVP | -2466.45181550; Eh | |||
 | 8-Jan-2024 | cisa | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UB3LYP | DEF2SVP | -2466.46094546; Eh | |||
 | 28-Mar-2024 | /benchmark R_b3lyp | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UB3LYP | 6-31G(D,P) | -772.803953955; Eh | |||
 | 28-Mar-2024 | /benchmark TS1_b3lyp | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UB3LYP | 6-31G(D,P) | -772.778957220; Eh | |||
 | 8-Jan-2024 | im1-trans-tz | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UB3LYP | DEF2TZVP | -2468.5905738; Eh | |||
 | 8-Jan-2024 | im2-cis-tz | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UB3LYP | DEF2TZVP | -2468.5957969; Eh | |||
 | 8-Jan-2024 | im1-cis-tz | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UB3LYP | DEF2TZVP | -2468.5883817; Eh | |||
 | 8-Jan-2024 | im2-trans-tz | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UB3LYP | DEF2TZVP | -2468.5866853; Eh | |||
 | 8-Jan-2024 | im3-trans-tz | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UB3LYP | DEF2TZVP | -2468.5908982; Eh | |||
 | 8-Jan-2024 | im3-cis-tz | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UB3LYP | DEF2TZVP | -2468.5867125; Eh |
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- 907 Gaussian