Toxicity of Dioxins: Role of an Absolute Hardness-Absolute Electronegativity Diagram (.ETA.-.CHI. Diagram) as a New Measure in Risk Assessment.
نویسندگان
چکیده
منابع مشابه
Investigation of relationship with electron configuration of chemical hardness, absolute electronegativity and electrophilicity
Chemical hardness (), absolute electronegativity (), and electrophilicity () have importantapplications in inorganic chemistry. These concepts are defined quantitatively as � � �� � ����,� � �� � ����, � � ������Where I is the ionization energy and A is the electron affinity. In thisstudy, graphical method was used to see the relation of electron configuration with chemicalhardness, absolute el...
متن کاملAbsolute electronegativity and hardness correlated with molecular orbital theory.
The concepts of absolute electronegativity, chi, and absolute hardness, eta, are incorporated into molecular orbital theory. A graphic and concise definition of hardness is given as twice the energy gap between the highest occupied molecular orbital and the lowest unoccupied molecular orbital. Useful correlations can now be made between chemical behavior, visible-UV absorption spectra, optical ...
متن کاملDerivation of ionization energy and electron affinity equations using chemical hardness and absolute electronegativity in isoelectronic series
Chemical hardness () and absolute electronegativity () have important applications in chemistry. Inthe conceptual Density Functional theory (DFT), these concepts has been associated with electronicenergy and the relationship with ionization energy (I) and electron affinity (A) of these concepts hasbeen given. In this study, graphical method was used in order to see the relationship with the ato...
متن کاملPrediction of endocrine disruptors based on a new structure-activity relationship for sex and environmental hormones using chemical hardness concept.
Classification of the relationship between electronic structures and biological activities of endocrine disruptors (so-called environmental hormones) was attempted using the parameters of absolute hardness (eta), absolute electronegativity (chi), and global softness (S), approximately defined as eta=1/2(epsilonLUMO-epsilonHOMO), chi=-1/2(epsilonHOMO+ epsilonLUMO), and S=1/eta, respectively, bas...
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ژورنال
عنوان ژورنال: Chemical and Pharmaceutical Bulletin
سال: 1995
ISSN: 0009-2363,1347-5223
DOI: 10.1248/cpb.43.1780