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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
1-Jul-2022 | /Complexes 2a | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM062X | 6-31G** 6-31+G* GEN | -1556.01815191; Eh | ||||
1-Jul-2022 | /Complexes 2b | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM062X | 6-31G** 6-31+G* GEN | -1709.60775274; Eh | ||||
1-Jul-2022 | /Complexes 2d | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM062X | 6-31G** 6-31+G* GEN | -1387.60695630; Eh | ||||
8-Aug-2022 | val-pd-dmso | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | LANL2DZ 6-31+G(D,P) 6-31G(D,P) GEN | -1786.45748299; Eh | ||||
8-Aug-2022 | nob-TS-DR | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | LANL2DZ 6-31+G(D,P) 6-31G(D,P) GEN | -2719.54781813; Eh | ||||
8-Aug-2022 | val-TS-US | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | LANL2DZ 6-31+G(D,P) 6-31G(D,P) GEN | -2221.17048505; Eh | ||||
8-Aug-2022 | nob-pd-dmso | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | LANL2DZ 6-31+G(D,P) 6-31G(D,P) GEN | -2284.83253921; Eh | ||||
8-Aug-2022 | nob-TS-US | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | LANL2DZ 6-31+G(D,P) 6-31G(D,P) GEN | -2719.53066030; Eh | ||||
8-Aug-2022 | val-TS-DR | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | LANL2DZ 6-31+G(D,P) 6-31G(D,P) GEN | -2221.17913741; Eh | ||||
8-Aug-2022 | nob-TS-UR | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | LANL2DZ 6-31+G(D,P) 6-31G(D,P) GEN | -2719.51035783; Eh |
Results 31-40 of 72 (Search time: 0.002 seconds).