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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_m_NH2 | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -766.3210216; Eh | |||
 | 28-Feb-2024 | SP_p_NH2 | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -766.3218583; 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_p_Me | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -750.2701666; 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 | |||
 | 28-Feb-2024 | SP_TS_m_Cl | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -1659.3328747; Eh |
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