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Toward in silico Catalyst Optimization.
Wodrich MD, Laplaza R, Cramer N, Reiher M, Corminboeuf C. Wodrich MD, et al. Chimia (Aarau). 2023 Mar 29;77(3):139-143. doi: 10.2533/chimia.2023.139. Chimia (Aarau). 2023. PMID: 38047817 Free article.
At the core of this pipeline is the SCINE Molassembler module, a graph-based software that provides algorithms for molecular construction of all periodic table elements. With this pipeline, we are able to simultaneously functionalizenand generate ensembles of transition st …
At the core of this pipeline is the SCINE Molassembler module, a graph-based software that provides algorithms for molecular construction of …
Patient dose map indications on interventional X-ray systems and validation with Gafchromic XR-RV3 film.
Bordier C, Klausz R, Desponds L. Bordier C, et al. Radiat Prot Dosimetry. 2015 Feb;163(3):306-18. doi: 10.1093/rpd/ncu181. Epub 2014 Jun 17. Radiat Prot Dosimetry. 2015. PMID: 24939865
Local doses are calculated in 1-cm2 areas depending on the estimated air kerma, table and gantry positions and system settings, taking into account the table and mattress attenuations and estimated backscatter from the patient. ...
Local doses are calculated in 1-cm2 areas depending on the estimated air kerma, table and gantry positions and system settings, takin …