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Manuscript title: Benchmarking Hierarchical Double-Ended Transition-State Search Methods for Metal-Catalyzed Reactions
Metadata:
| Title: | /case_studies/pd_c_h_multistep/NEB_TS_H_ccnv/nebtsh_ccnv_run_1 pd-ch-nebtsh-minim-PS |
| Authors: | Maiti, Shoubhik Buttar, David Duarte, Fernanda |
| Keywords: | Computational chemistry Transition states Transition metals |
| Issue Date: | 29-Jul-2026 |
| Publisher: | Barcelona Supercomputing Center |
| Abstract: | Minimisation from IRC end-point from NEB-TS(H) ccnv. TS, towards the product |
| URI: | https://iochem-bd.bsc.es/browse/handle/100/501363 |
| Appears in Collections: | metal_ts_study - DOI: 10.19061/iochem-bd-6-566 |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/501363
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