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Theoretical Studies of Skewed Spin Ladders and Polycyclic Aromatic Hydrocarbons
This thesis is an effort to understand electronic structure and optical properties of low-dimensional
conjugated molecules such as polyatomic aromatic hydrocarbons and nanoribbons composed
of perylene monomers in addition ...
Computational Study of General Relationships in Chemistry: C−C, C−N, and B−B Coupling, B−B Catenation, and 2D Metal Borides
Elements in the periodic table are categorized into four major blocks, main group (MG) elements, transition metals (TM), lanthanides (Ln), and actinides (An), which differ dramatically. Recent studies revealed some interesting ...
Opto-electronic Properties of a Few Dimensionally Controlled Hybrid Halides and Related Systems
To mitigate the adverse environmental effects of burning fossil fuels, it became necessary to explore alternative ‘clean’ renewable energy sources to meet the ever-increasing energy demands. While silicon-based solar cell ...