Molecular orbital calculations for biological systems / edited by Anne-Marie Sapse.

Includes bibliographical references and index.

Ab initio calculations / Anne-Marie Sapse -- An introduction to the theoretical basis of semi-empirical quantum-mechanical methods for biological chemists / Nigel G.J. Richards -- The molecular electrostatic potential : a tool for understanding and predicting molecular interactions / Jane S. Murray, Peter Politzer -- Applications of density functional theory to biological systems / Tomasz Adam Wesolowski, Jacques Weber -- On comparing experimental and calculated structural parameters / Lothar Schäfer, John D. Ewbank -- Ab initio studies of anti-cancer drugs / Anne-Marie Sapse -- Ab initio calculations of amino acids and peptides / Lothar Schäfer, Susan Q. Newton, Xiaoqin Jiang.

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