Molecular similarity
著者
書誌事項
Molecular similarity
（Topics in current chemistry = Fortschritte der chemischen Forschung, 173-174）
Springer-Verlag, c1995
- 1 : gw
- 1 : us
- 2 : gw
- 2 : us
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注記
Vol. 2: with contributions by P.J. Artymiuk ... [et al.]
Includes bibliographical references and author indexes vols. 151-173 and 151-174
内容説明・目次
- 巻冊次
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1 : gw ISBN 9783540586715
内容説明
Part of a continuing series which charts the progress of chemical research, this volume contains papers on recent developments in molecular quantum similarity, density domain bonding topology, and momentum-space electron densities and quantity molecular similarity.
目次
Similarity in chemistry: Past, present and future.- Foundations and recent developments on molecular quantum similarity.- Density domain bonding topology and molecular similarity measures.- Momentum-space electron densities and quantum molecular similarity.
- 巻冊次
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2 : gw ISBN 9783540586722
内容説明
Part of a continuing series which charts recent developments in chemical research, this volume contains papers on the mapping of molecular electric potentials and fields, the identification of structural similarity in organic molecules, the use of molecular electrostatic potential maps and more.
目次
Similarity models in the theory of pericyclic reactions.- Mapping of molecular electric potentials and fields.- Using molecular electrostatic potential maps for similarity studies.- The use of graph theoretical methods for the comparison of the structures of biological macromolecules.- Identification of structural similarity of organic molecules.
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