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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
28-Feb-2024 | SP_Int4 | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -1199.7548975; Eh | ||||
28-Feb-2024 | SP_m_NO2 | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -915.5204235; Eh | ||||
28-Feb-2024 | SP_m_NH2 | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -766.3210216; Eh | ||||
28-Feb-2024 | SP_p_Cl | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -1170.5538447; Eh | ||||
28-Feb-2024 | SP_p_Br | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -3284.4088182; Eh | ||||
28-Feb-2024 | SP_p_CN | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -803.2184917; Eh | ||||
28-Feb-2024 | SP_m_OMe | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -825.4984925; Eh | ||||
28-Feb-2024 | SP_m_Me | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -750.2698718; Eh | ||||
28-Feb-2024 | SP_TS_m_CF3 | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -1536.8676855; Eh | ||||
28-Feb-2024 | SP_TS_m_Br | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -3773.1879573; Eh |
Results 21-30 of 185 (Search time: 0.002 seconds).