نتایج جستجو برای: substituent effects

تعداد نتایج: 1548409  

Journal: :The journal of physical chemistry. A 2005
Allan L L East Kaleb L Grittner Ahsan I Afzal Alec G Simpson Joel F Liebman

Conjugated polyynes are a class of species of diverse and increasing interest. Length-scrambling and substituent scrambling reaction energies were examined using ab initio quantum chemistry calculations to investigate issues concerning the energetic effects of the molecular ends (substituent communication). Computations were performed for the parent, monohalogenated, and dihalogenated (F, Cl, B...

ژورنال: :international journal of new chemistry 0

the electronic structure and properties of the osmaabenzenes and para substituted osmabenzenes have been explored using the hybrid density functional mpw1pw91 theory. systematic studies on the substituent effect in para substituted osmabenzenes complexes have been studied. the following substituents were taken into consideration: h, f, ch3,oh, nh2,cn, no2, cho, and cooh. basic measures of aroma...

Journal: :Bulletin of the Chemical Society of Japan 1987

Journal: :The Journal of the Society of Chemical Industry, Japan 1971

Journal: :Proceedings of the National Academy of Sciences 2002

Journal: :Journal of the Mass Spectrometry Society of Japan 1984

Journal: :The Journal of the Society of Chemical Industry, Japan 1970

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