Azobenzenes (Ph-N═ N-Ph) are known as the most widely studied molecular
photoswitches, and the recent rise of azoheteroarenes (Het-N═ N-Ph or Het-N═ N-Het) …

The concept of aromaticity was initially introduced in chemistry to account for the stability,
reactivity, molecular structures, and other properties of many unsaturated organic …

Graphene oxide (GO) was prepared with a modified Hummers method and then reduced to
different reduction degrees by using hydrazinehydrate. The obtained GO and reduced GO …

Substituent effects in organic chemistry are generally described in terms of experimentally
derived Hammett parameters whereas a convenient theoretical tool to study these effects in …

Numerous studies on nitro group properties are associated with its high electron-
withdrawing ability, by means of both resonance and inductive effect. The substituent effect …

The oxidative addition of organic electrophiles into electrochemically generated Co (I)
complexes has been widely utilized as a strategy to produce carbon-centered radicals when …

The electronic structure and bonding situation in 21 metallabenzenes (metal= Os, Ru, Ir, Rh,
Pt, and Pd) were investigated at the DFT level (BP86/TZ2P) by using an energy …

It is common to introduce electron-donating or electron-withdrawing substituent groups into
functional conjugated molecules (such as dyes) to tune their electronic structure properties …

Homoleptic transition-metal complexes of 2, 2': 6′, 2 ″-terpyridine (terpy) and substituted
derivatives of the form [M (R-terpy) 2] 2+ display a wide range of redox potentials that …

The nature of the interatomic interactions in cyclic conjugated molecules has been
investigated with the Energy Decomposition Analysis (EDA). The focus of this work is on the …