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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Jul-2023 | mechanism2_INT2 | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | DEF2SVP | -2394.77214847; Eh | |||
 | 27-Jul-2023 | mechanism2_INT1 | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | DEF2SVP | -2394.76437553; Eh | |||
 | 27-Jul-2023 | mechanism1_INT1 | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | DEF2SVP | -1897.81005991; Eh | |||
 | 27-Jul-2023 | 19_protonated | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | DEF2SVP | -382.277893933; Eh | |||
 | 27-Jul-2023 | 4_protonated | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | DEF2SVP | -290.111340482; Eh | |||
 | 27-Jul-2023 | 14_protonated | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | DEF2SVP | -155.243369118; Eh | |||
 | 27-Jul-2023 | 4_neutral | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | DEF2SVP | -289.632224853; Eh | |||
 | 27-Jul-2023 | 3_neutral | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | DEF2SVP | -328.893319345; Eh | |||
 | 27-Jul-2023 | mechanism1_INT2 | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | DEF2SVP | -1897.82208070; Eh | |||
 | 27-Jul-2023 | mechanism2_INT3 | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | DEF2SVP | -2394.80198317; Eh |
Results 31-40 of 132 (Search time: 0.001 seconds).