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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Jul-2023 | INT4 | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | DEF2SVP | -2394.33039141; Eh | |||
 | 27-Jul-2023 | TS3 | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | DEF2SVP | -2394.75545771; Eh | |||
 | 27-Jul-2023 | mechanism1_INT4 | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | DEF2SVP | -1898.28292228; Eh | |||
 | 27-Jul-2023 | 22_protonated | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | DEF2SVP | -562.573183748; Eh | |||
 | 27-Jul-2023 | 11_protonated | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | DEF2SVP | -420.768467844; Eh | |||
 | 27-Jul-2023 | 21_protonated | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | DEF2SVP | -248.449049906; Eh | |||
 | 27-Jul-2023 | 23_protonated | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | DEF2SVP | -326.993428764; Eh | |||
 | 27-Jul-2023 | 3_protonated | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | DEF2SVP | -329.364926971; Eh | |||
 | 27-Jul-2023 | 6_protonated | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | DEF2SVP | -329.376772029; Eh | |||
 | 27-Jul-2023 | 5_neutral | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | DEF2SVP | -407.417908806; Eh |
Results 11-20 of 132 (Search time: 0.0 seconds).