By John R. Sabin and Erkki Brändas (Eds.)
ISBN-10: 0120348527
ISBN-13: 9780120348527
Advances in Quantum Chemistry offers surveys of present advancements during this speedily constructing box that falls among the traditionally demonstrated parts of arithmetic, physics, chemistry, and biology. With invited studies written by way of best foreign researchers, each one featuring new effects, it presents a unmarried automobile for following development during this interdisciplinary sector. * publishes articles, invited stories and lawsuits of significant overseas meetings and workshops * written by means of prime overseas researchers in quantum and theoretical chemistry * highlights very important interdisciplinary advancements
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Additional resources for Theoretical Studies of the Interaction of Radiation with Biomolecules
Sample text
Ij (33) In that cases expression (29) can be rewritten as σ molecule = σi − i σij , (34) i PDB file in the Brookhaven Protein Databank. ) Fig. 13 presents differential elastic as well as total elastic and inelastic cross sections calculated in two different ways. The first procedure was the SCAR one under IAM approximation for the 760 individual atoms. The second procedure was the SCAR-M one under the IMM approximation for the 24 nucleotides. 44 A. Muñoz et al. Fig. 13. Comparison of results form the SCAR-M (continuous lines) and SCAR (dashed lines) treatments for 1BNA complex. Differential elastic and total (elastic and inelastic) cross section. 4! N! (30) Energy Deposition Models at the Molecular Level in Biological Systems (1) εi (k) εi = 1, 37 (31) N −k+1 ∼ = N −1 (k−1) σj εj j (=i) αij (k = 2, . . , N). (32) In above expressions N stands for the number of atoms in the molecule, the j index runs over all the N atoms except the i one, rij is the distance between centres of atoms i and j and αij = max(4πrij2 , σi , σj ). We will describe here the origin of the above expressions only for the simplet diatomic case. For a diatomic molecule (or for a general one, if one ignores multiple atom overlap(2) pings) only the εi terms survive in above expressions, and then they reduce to si = 1 − 1 2 j (=i) σj . Theoretical Studies of the Interaction of Radiation with Biomolecules by John R. Sabin and Erkki Brändas (Eds.)
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