Molecular Chemistry


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Package for performing ab-initio quantum-mechanical MD using pseudopotentials and a plane wave basis set. Projects are often inspired and driven by individual interests and student interactions during the first year. Reaction mechanisms are proposed to explain the kinetics and the relative product mix of a reaction. Peter Barham, a polymer physicist at the University of Bristol and visiting professor of molecular gastronomy at the Copenhagen’s Royal Veterinary University, writes in a recent e-mail that he sometimes prepares “a special ‘organic’ raspberry sorbet when I have foodies for dinner.

Using weighted Alpha Complexes in Subsurface Modelling:


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Soldered joints exist in most consumer electronics products. Although ΔH is the enthalpy change, it is often referred to as "heat" -- especially in introductory courses. The energetic barriers to tight packaging of DNA arise from decreased configurational entropy, bending the stiff double helix, and intermolecular (or inter-segment) electrostatic repulsion of the negatively charged DNA phosphate groups. Therefore, solubility is a characteristic property of a solid. According to him, all elements are made of atoms and the purity of an element is attributed to the presence of similar...

Light Absorption and Photochemistry of Organic Molecules