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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 22-Nov-2022 | SCH3_C2-C5_35_INT_MN15_def2-SVP | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RMN15 | DEF2SVP | -2365.68407425; Eh | |||
![]() | 22-Nov-2022 | DMA_C2-C5_35_product_MN15_def2-SVP | Ahmed, Yusef | Gaussian; 16; EM64M-G16RevA.03 | Geometry optimization Minimum | RMN15 | DEF2SVP | -1758.79132209; Eh | |||
![]() | 22-Nov-2022 | DMA_C3_35_TS1_MN15_def2-SVP | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RMN15 | DEF2SVP | -1625.05622432; Eh | |||
![]() | 22-Nov-2022 | SCH3_C2-C5_35_product_MN15_def2-SVP | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RMN15 | DEF2SVP | -2365.72267380; Eh | |||
![]() | 22-Nov-2022 | DMA_C5_33_TS_MN15_def2-SVP | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RMN15 | DEF2SVP | -1625.03557591; Eh | |||
![]() | 22-Nov-2022 | CH3_C4_35_INT_MN15_def2-SVP | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RMN15 | DEF2SVP | -1530.59373499; Eh | |||
![]() | 22-Nov-2022 | DMA_C2_33_TS_MN15_def2-SVP | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | DEF2SVP | -1625.04749032; Eh | |||
![]() | 22-Nov-2022 | DMA_C2-C6_35_TS2_MN15_def2-SVP | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | DEF2SVP | -1758.77560761; Eh | |||
![]() | 22-Nov-2022 | DMA_C6_35_TS_MN15_def2-SVP | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | DEF2SVP | -1625.03930362; Eh | |||
![]() | 22-Nov-2022 | SCH3_C2-C6_35_product_MN15_def2-SVP | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RMN15 | DEF2SVP | -2365.72701642; Eh |
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