QSPR for Physical Properties of cata-Condensed Benzenoids Using Two Simple Dualist-Based Descriptors
نویسندگان
چکیده
منابع مشابه
cata-condensed aromatic hydrocarbons
A large fraction (30 of 62) of the cata-condensed polycyclic benzenoid aromatic hydrocarbons with one to six rings have nonplanar pi carbon atom frameworks, with the minimum angle of nonplanarity approximately 30°. In addition to 17 pairs of enantiomers, four of the nonplanar cata-condensed benzenoids with six rings are redicted to be capable of existing as pairs of twisted diastereoisomers. Ma...
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15 صفحه اولMolecular Descriptors for Natural Diamondoid Hydrocarbons and Quan- titative Structure-Property Relationships for Their Chromatographic Data
Diamond hydrocarbons (or diamondoids) are hydrocarbons that have a carbon skeleton superimposable on the diamond lattice and contain one or more adamantane units. Recently it was found that many higher diamondoids (containing four to eleven adamantane units) are present in petroleum and can be isolated by a series of methods that include HPLC and GC techniques. We develop QSPR equations using m...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry A
سال: 2007
ISSN: 1089-5639,1520-5215
DOI: 10.1021/jp0795199