HIGHLIGHTS
- who: A. Ozgur Yazaydin from the (UNIVERSITY) have published the research: 1-Bromopropane Capture with Hydrophobic Zeolites: Force Field Development and Molecular Simulations, in the Journal: (JOURNAL) of March/18,/2022
- what: In this work, a united-atom model of 1-bromopropane was developed to investigate its capture in hydrophobic zeolites.
- how: In this model hydrogen atoms and the carbon atom that they are bonded to i.e. CH3 and CH2 are considered as a single united atom .
SUMMARY
Pubs.acs.org/JPCC 2. To carry out accurate molecular . . .
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