Graph-theoretical concepts and physicochemical data
نویسندگان
چکیده
منابع مشابه
Graph-theoretical concepts and physicochemical data
Graph theoretical concepts have been used to model the molecular polarizabilities of fifty-four organic derivatives, and the induced dipole moment of a set of fifty-seven organic compounds divided into three subsets. The starting point of these modeling strategies is the hydrogen-suppressed chemical graph and pseudograph of a molecule, which works very well for second row atoms. From these type...
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ژورنال
عنوان ژورنال: Data Science Journal
سال: 2003
ISSN: 1683-1470
DOI: 10.2481/dsj.2.1