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Published in 2022 at "Environmental research"
DOI: 10.1016/j.envres.2022.112917
Abstract: The migration and transformation of uranium(U)-bearing pollutants such as uranyl [U (Ⅵ)] ions in the environment are quite dependent on the geological condition in particular with the site enriched in Fe. In this study, the…
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Keywords:
easy separation;
efficient easy;
fe2o3 selectively;
highly efficient ... See more keywords
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1
Published in 2022 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.2c00757
Abstract: We introduce ULYSSES, a user-friendly and robust C++ library for semiempirical quantum chemical calculations. In its current version, ULYSSES is equipped with a large set of different semiempirical models, most of which are based on…
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Keywords:
easy use;
ulysses efficient;
use semiempirical;
semiempirical library ... See more keywords