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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_TS_m_Cl | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -1659.3328747; Eh | |||
 | 28-Feb-2024 | SP_TS_m_Me | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -1239.0502118; Eh | |||
 | 28-Feb-2024 | SP_TS_m_F | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -1298.9908915; Eh | |||
 | 28-Feb-2024 | SP_TS_m_CN | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -1291.9981078; Eh | |||
 | 28-Feb-2024 | int1_A | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization Minimum | RM06L | DEF2SVP | -1294.79953901; Eh | |||
 | 28-Feb-2024 | SP_TS2_ox_addition | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -1199.6987107; Eh | |||
 | 28-Feb-2024 | SP_Int9-RE_6-members | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -1139.0990797; Eh | |||
 | 28-Feb-2024 | SP_TS-RE_6-members | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -1139.070594; Eh | |||
 | 28-Feb-2024 | SP_Int9-RE | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -1334.4834297; Eh | |||
 | 28-Feb-2024 | SP_TS-RE | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -1334.4419831; Eh |
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- 185 Arynes
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- 184 RM06L