Capturing Chemistry in Action with Electrons: Realization of Atomically Resolved Reaction Dynamics.
Sign Up to like & getrecommendations! Published in 2017 at "Chemical reviews"
DOI: 10.1021/acs.chemrev.6b00770
Abstract: One of the grand challenges in chemistry has been to directly observe atomic motions during chemical processes. The depiction of the nuclear configurations in space-time to understand barrier crossing events has served as a unifying… read more here.
Keywords: atomic motions; chemistry; atomically resolved; reaction ... See more keywords
Disentangling Self-Atomic Motions in Polyisobutylene by Molecular Dynamics Simulations
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DOI: 10.3390/polym13040670
Abstract: We present fully atomistic molecular dynamics simulations on polyisobutylene (PIB) in a wide temperature range above the glass transition. The cell is validated by direct comparison of magnitudes computed from the simulation and measured by… read more here.
Keywords: atomic motions; self atomic; methyl group; disentangling self ... See more keywords