Molecular orbital calculations for biological systems /
[Book]
edited by Anne-Marie Sapse.
New York :
Oxford University Press,
1998.
1 online resource (xiv, 233 pages) :
illustrations.
Topics in physical chemistry
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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Molecular orbital calculations for biological systems.