Qualitative molecular orbital theory is central to our understanding of the bonding and reactivity of molecules and materials across chemistry. Advances in computational technology and methodology, however, have made ab initio or density functional theory calculations a simpler alternative, offering reliable results on increasingly large systems in a reasonable time-scale without the need for c...

Pro-aromatic molecules have higher-energy diradicaloid states that are significantly influenced by resonance structures in which conjugated rings take on Hückel-aromatic character. Recently, it has been argued there also pro-aromatic adopt central units with 4nπ-electron Baird-aromatic character the T1 state, although detailed analysis suggests these compounds better labelled as Hückel–Baird hy...

a r t i c l e i n f o a b s t r a c t The photoionization processes of excited hydrogen atoms in plasma environments are investigated using the method of complex coordinate rotation. The standard Debye–Hückel model and modified Debye– Hückel model are adopted to describe the plasma screening effects. The photoionization cross sections of plasma-embedded excited hydrogen atoms varied with differ...

We study the free energy of a heavy quark-antiquark pair in a thermal medium. We constuct a simple ansatz for the free energy for two quark flavors motivated by the Debye-Hückel theory of screening. PACS. 11.15.Ha, 12.38.Mh, 25.75.Nq