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Chemical reactivity through structure‐stability landscape
Author(s) -
Das Ranjita,
Vigneresse JeanLouis,
Chattaraj Pratim Kumar
Publication year - 2014
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.24706
Subject(s) - stability (learning theory) , reactivity (psychology) , geography , computer science , medicine , alternative medicine , pathology , machine learning
The reactivity descriptors like electronegativity, hardness, and electrophilicity, formulated on conceptual density functional theory can explain chemical reactivity of various acids and bases, oxidants and reductants as well as electrophiles and nucleophiles through associated structure‐stability diagrams. © 2014 Wiley Periodicals, Inc.