Favorable Direction in a Chemical Reaction Through the Maximum Hardness Principle
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چکیده
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mesuring the staff technology readiness, the case of a multi national chemical company operating in iran
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15 صفحه اولStatistical Significance of the Maximum Hardness Principle Applied to Some Selected Chemical Reactions.
The validity of the maximum hardness principle (MHP) is tested in the cases of 50 chemical reactions, most of which are organic in nature and exhibit anomeric effect. To explore the effect of the level of theory on the validity of MHP in an exothermic reaction, B3LYP/6-311++G(2df,3pd) and LC-BLYP/6-311++G(2df,3pd) (def2-QZVP for iodine and mercury) levels are employed. Different approximations ...
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It is shown that for relatively more stable metallic clusters (those with magic number of atoms) the chemical hardness (I-A) too is relatively larger. Thus the occurrence of magic numbers for metal clusters whose stability is determined by their electronic shell structure can be understood as a manifestation of the principle of maximum hardness. This may also represent a possible way of delinea...
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ژورنال
عنوان ژورنال: Journal of the Mexican Chemical Society
سال: 2017
ISSN: 2594-0317,1870-249X
DOI: 10.29356/jmcs.v57i1.232