https://iochem-bd.bsc.es/browse/handle/100/451701 HIE_isotopes Tue, 07 Apr 2026 15:20:08 GMT 2026-04-07T15:20:08Z https://iochem-bd.bsc.es/browse/handle/100/451924 Title: /EDA/IrH2PhPyIMesPPh3_rot IrH2PhPyIMesPPh3_rotTS_PhPy-frag_sp_nosolv Authors: Nelson, David Abstract: 2-Phenylpyridine from [Ir(H)2(PhPy)(IMes)(PPh3)] rotation TS SP M06-L/Def2-QZVP Mon, 23 Jun 2025 12:13:28 GMT https://iochem-bd.bsc.es/browse/handle/100/451924 2025-06-23T12:13:28Z https://iochem-bd.bsc.es/browse/handle/100/451923 Title: /EDA/IrH2PhPyIMesPPh3_rot IrH2PhPyIMesPPh3_rotTS_Ir-frag_sp_nosolv Authors: Nelson, David Abstract: [Ir(H)2(IMes)(PPh3)] from [Ir(H)2(PhPy)(IMes)(PPh3)] rotation TS SP M06-L/Def2-QZVP Mon, 23 Jun 2025 12:13:29 GMT https://iochem-bd.bsc.es/browse/handle/100/451923 2025-06-23T12:13:29Z https://iochem-bd.bsc.es/browse/handle/100/451922 Title: /EDA/IrH2PhPyIMesPPh3_rot IrH2PhPyIMesPPh3_rotTS_sp_nosolv Authors: Nelson, David Abstract: [Ir(H)2(PhPy)(IMes)(PPh3)] rotation TS SP M06-L/Def2-QZVP Mon, 23 Jun 2025 12:13:29 GMT https://iochem-bd.bsc.es/browse/handle/100/451922 2025-06-23T12:13:29Z https://iochem-bd.bsc.es/browse/handle/100/451921 Title: /EDA/IrH2PhAcIMesPPh3_rot IrH2PhAcIMesPPh3_rotTS_PhAc-frag_sp_nosolv Authors: Nelson, David Abstract: Acetophenone from [Ir(H)2(PhAc)(IMes)(PPh3)] rotation TS SP M06-L/Def2-QZVP Mon, 23 Jun 2025 12:13:30 GMT https://iochem-bd.bsc.es/browse/handle/100/451921 2025-06-23T12:13:30Z