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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
21-Nov-2022 | DMA_C5_3_5_INT_MN15_def2-SVP | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RMN15 | DEF2SVP | -1625.07532577; Eh | ||||
21-Nov-2022 | NH2_C2-C5_3_5_reactant_MN15_def2-SVP | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RMN15 | DEF2SVP | -1601.90192385; Eh | ||||
21-Nov-2022 | DMA_C2-C6_Pd_coordination_coord_to_N_on_C2_MN15_def2-SVP | Ahmed, Yusef | Gaussian; 16; EM64M-G16RevA.03 | Geometry optimization Minimum | RMN15 | DEF2SVP | -1758.77694660; Eh | ||||
21-Nov-2022 | DMA_C2-C6_3_3_product_MN15_def2-QZVPP_SMD_chloroform | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RMN15 | DEF2QZVPP | -1760.72491361; Eh | ||||
21-Nov-2022 | DMA_C2-C6_3_5_INT_MN15_def2-SVP | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RMN15 | DEF2SVP | -1758.78844862; Eh | ||||
21-Nov-2022 | CH3_C4_3_3_INT_MN15_def2-SVP | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RMN15 | DEF2SVP | -1530.60166171; Eh | ||||
21-Nov-2022 | SH_C2-C5_3_5_product_MN15_def2-SVP | Ahmed, Yusef | Gaussian; 16; EM64M-G16RevA.03 | Geometry optimization Minimum | RMN15 | DEF2SVP | -2287.27781571; Eh | ||||
21-Nov-2022 | OCH3_C4_3_3_INT_MN15_def2-SVP | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RMN15 | DEF2SVP | -1605.69805556; Eh |
Results 361-368 of 368 (Search time: 0.0 seconds).