Polarizable Embedding for Excited-State Reactions: Dynamically Weighted Polarizable QM/MM.
Sign Up to like & getrecommendations! Published in 2018 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.8b00064
Abstract: Recent interest in polarizable embedding methods for electronic excited states has so far been focused on optical absorption and emission spectra calculations. To explore the suitability of these methods for excited-state reactions, we constructed a… read more here.
Keywords: excited state; weighted polarizable; dynamically weighted; polarizable embedding ... See more keywords
Relative Kinetics of Solid-State Reactions: The Role of Architecture in Controlling Reactivity.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.2c05043
Abstract: Countless inorganic materials are prepared via high temperature solid-state reaction of mixtures of reagents powders. Understanding and controlling the phenomena that limit these solid-state reactions is crucial to designing reactions for new materials synthesis. Here,… read more here.
Keywords: state; reaction; solid state; state reactions ... See more keywords
The Power of Words: State Reactions to Protest Announcements
Sign Up to like & getrecommendations! Published in 2019 at "Comparative Political Studies"
DOI: 10.1177/0010414018784059
Abstract: Organizations often announce their protest activities prior to their implementation to mobilize awareness, recruit supporters, and receive media attention. We are interested in the effectiveness of protest announcements—that is, under what conditions governments make concessions… read more here.
Keywords: reactions protest; words state; protest announcements; power words ... See more keywords