Accurate theoretical method for homolytic cleavage of CSn bond: A benchmark approach
Sign Up to like & getrecommendations! Published in 2018 at "Computational and Theoretical Chemistry"
DOI: 10.1016/j.comptc.2018.08.003
Abstract: Abstract Stille coupling is a well-known cross coupling reaction, where the rate determination step is the dissociation of carbon stannous (C Sn) bond. The organotin compounds are also used as precursors in the manufacturing of… read more here.
Keywords: theoretical method; bond; accurate theoretical; organotin compounds ... See more keywords
Theoretical method for nanoscale wear of diamond-like carbon with frictional heat
Sign Up to like & getrecommendations! Published in 2019 at "Diamond and Related Materials"
DOI: 10.1016/j.diamond.2019.02.022
Abstract: Abstract The aim of this paper is to develop an efficient theoretical method to analyze the nanoscale wear process of diamond-like carbon considering frictional heat. The wear process is divided into burnishing of outlying asperity… read more here.
Keywords: diamond like; like carbon; method; nanoscale wear ... See more keywords
A new theoretical method for predicting the elastoplastic behavior of ductile metallic materials
Sign Up to like & getrecommendations! Published in 2021 at "International Journal of Mechanical Sciences"
DOI: 10.1016/j.ijmecsci.2021.106450
Abstract: Abstract A new theoretical method is proposed to predict the elastoplastic behavior of three ductile metallic materials, including mild steel Q235, high strength low alloy steel HSLA350, and aluminum alloy AL6061. Using this method, only… read more here.
Keywords: method; ductile metallic; theoretical method; metallic materials ... See more keywords
The Rouse Dynamic Properties of Dendritic Chains: A Graph Theoretical Method
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DOI: 10.1021/acs.macromol.7b00040
Abstract: The eigen-polynomials of the Rouse matrix for the G-generation dendritic chains with arbitrary spacer length (n), and functionalities of the central segment (f0) and outer segments (f) are derived with the aid of graph theoretical… read more here.
Keywords: theoretical method; dynamic properties; dendritic chains; graph theoretical ... See more keywords