Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Nov-2022 | DMA_C2-C6_3_5_INT_MN15_def2-QZVPP_gas_DLNPO-CCSDT_SINGLEPOINT | Ahmed, Yusef | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-QZVPP; def2-QZVPP/C | -1754.39349992; Eh | |||
 | 22-Nov-2022 | DMA_C2-C6_3_3_TS_MN15_def2-QZVPP_SMD_chloroform_DLNPO-CCSDT_SING | Ahmed, Yusef | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-QZVPP; def2-QZVPP/C | -1754.34440238; Eh | |||
 | 22-Nov-2022 | DMA_C2-C6_3_3_product_MN15_def2-QZVPP_SMD_chloroform_DLNPO-CCSDT | Ahmed, Yusef | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-QZVPP; def2-QZVPP/C | -1754.42867444; Eh | |||
 | 22-Nov-2022 | DMA_C2-C6_3_5_reactant_MN15_def2-QZVPP_gas_DLNPO-CCSDT_SINGLEPOI | Ahmed, Yusef | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-QZVPP; def2-QZVPP/C | -1754.41070795; Eh | |||
 | 22-Nov-2022 | DMA_C2-C6_3_5_TS2_MN15_def2-QZVPP_gas_DLNPO-CCSDT_SINGLEPOINT | Ahmed, Yusef | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-QZVPP; def2-QZVPP/C | -1754.36875608; Eh | |||
 | 22-Nov-2022 | DMA_C2-C6_3_5_TS2_MN15_def2-QZVPP_SMD_chloroform_DLNPO-CCSDT_SIN | Ahmed, Yusef | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-QZVPP; def2-QZVPP/C | -1754.37946858; Eh | |||
 | 22-Nov-2022 | DMA_C2-C6_3_5_reactant_MN15_def2-QZVPP_SMD_chloroform_DLNPO-CCSD | Ahmed, Yusef | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-QZVPP; def2-QZVPP/C | -1754.41270963; Eh | |||
 | 22-Nov-2022 | DMA_C2-C6_3_3_TS_MN15_def2-QZVPP_gas_DLNPO-CCSDT_SINGLEPOINT | Ahmed, Yusef | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-QZVPP; def2-QZVPP/C | -1754.33899588; Eh | |||
 | 22-Nov-2022 | DMA_C2-C6_3_5_TS1_MN15_def2-QZVPP_SMD_chloroform_DLNPO-CCSDT_SIN | Ahmed, Yusef | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-QZVPP; def2-QZVPP/C | -1754.36410020; Eh | |||
 | 22-Nov-2022 | DMA_C2-C6_3_5_TS1_MN15_def2-QZVPP_gas_DLNPO-CCSDT_SINGLEPOINT | Ahmed, Yusef | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-QZVPP; def2-QZVPP/C | -1754.35523638; Eh |
Results 1-10 of 28 (Search time: 0.0 seconds).