https://iochem-bd.bsc.es/browse/handle/100/479177 pNMR_Xbond Tue, 07 Apr 2026 13:41:02 GMT 2026-04-07T13:41:02Z https://iochem-bd.bsc.es/browse/handle/100/479197 Title: 2Br_2c_reduced_coupling_constant Authors: Sasikumar, Anagha Abstract: Reduced coupling constant calculation Pd(acac)2@C6F4Br2 at SO-ZORA/PBE50/TZ2P Wed, 08 Oct 2025 13:33:34 GMT https://iochem-bd.bsc.es/browse/handle/100/479197 2025-10-08T13:33:34Z https://iochem-bd.bsc.es/browse/handle/100/479196 Title: 2Br_2c_NMR Authors: Sasikumar, Anagha Abstract: NMR calculation Pd(acac)2@C6F4Br2@Pd(acac)2 at SO-ZORA/PBE50/TZ2P Wed, 08 Oct 2025 13:33:35 GMT https://iochem-bd.bsc.es/browse/handle/100/479196 2025-10-08T13:33:35Z https://iochem-bd.bsc.es/browse/handle/100/479195 Title: 2Br_1c_nmr Authors: Sasikumar, Anagha Abstract: NMR calculation Pd(acac)2@C6F4Br2@Pd(acac)2 at ZORA/PBE50/TZ2P Wed, 08 Oct 2025 13:33:35 GMT https://iochem-bd.bsc.es/browse/handle/100/479195 2025-10-08T13:33:35Z https://iochem-bd.bsc.es/browse/handle/100/479194 Title: 2Br_opt Authors: Sasikumar, Anagha Abstract: Geometry optimization Pd(acac)2@C6F4I2@Pd(acac)2 at ZORA/PBE0/TZ2P Wed, 08 Oct 2025 13:33:35 GMT https://iochem-bd.bsc.es/browse/handle/100/479194 2025-10-08T13:33:35Z