1360 Journal of Chemical Education • Vol. 84 No. 8 August 2007 • www.JCE.DivCHED.org At the level of introductory chemistry, oxidation numbers and formal charges are tools useful in analyzing the electronic structure of molecules. Oxidation numbers are assigned by giving a negative charge to the more electronegative atom in a diatomic molecule, while formal charges are assigned by assuming that...

We report in this study the influence of green solvents (water and DMSO) effect structural parameters, frontier molecular orbital's (FMO's) electrostatic potential surface analysis (MEPS) 1-ethylpiperazine-1,4-diium bis(hydrogenoxalate) (1EPBH) compound by means DFT method. The has been examined signal-crystal X-ray diffraction (XRD), infrared (IR) nuclear magnetic resonance (NMR) spectroscopy....

angioma or kaposiform hemangioendothelioma. Ann Dermatol Venereol. 2006;133:553-6. 10. Arai E, Kuramochi A, Tsuchida T, Tsuneyoshi M, Kage M, Fukunaga M, et al. Usefulness of D2-40 immunohistochemistry for differentiation between kaposiform hemangioendothelioma and tufted angioma. J Cutan Pathol. 2006;33: 492-7. 11. Enjolras O, Mulliken JB, Wassef M, Frieden IJ, Rieu PN, Burrows PE, et al. Resi...

Molecular aromaticity in the linear polyacenes is investigated using an atoms in molecules based six center index (SCI-AIM) which measures the electron delocalization. SCI-AIM values for the linear polyacenes indicate decreasing aromaticity going from outer to inner rings in the polyacene series. The SCI-AIM approach is compared to a Mulliken-like approach, and a critical comparison to the PDI ...