ExcelAutomat 1.3: Fragment analysis based on the distortion/interaction‐activation strain model
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.25546
Abstract: The distortion/interaction‐activation strain model (D/I‐ASM), a fragment analysis method, is applied to study the structure–reactivity relationship in reactions. The application of D/I‐ASM involves the generation of input files for points along a reaction profile, submission… read more here.
Keywords: fragment analysis; analysis; activation strain; interaction activation ... See more keywords
Understanding the reactivity of frustrated Lewis pairs with the help of the activation strain model-energy decomposition analysis method.
Sign Up to like & getrecommendations! Published in 2022 at "Chemical communications"
DOI: 10.1039/d2cc00233g
Abstract: This Feature article presents recent representative applications of the combination of the Activation Strain Model of reactivity and the Energy Decomposition Analysis methods to understand the reactivity of Frustrated Lewis Pairs (FLPs). This approach has… read more here.
Keywords: activation strain; energy decomposition; strain model; reactivity ... See more keywords