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Applications of density functional theory to biological and bioinorganic chemistry

Author: Mihai V Putz; D M P Mingos
Publisher: Heidelberg ; New York : Springer, ©2013.
Series: Structure and bonding, 150.
Edition/Format:   Print book : EnglishView all editions and formats
Summary:

The series Structure and Bonding publishes critical reviews on topics of research concerned with chemical structure and bonding.

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Material Type: Internet resource
Document Type: Book, Internet Resource
All Authors / Contributors: Mihai V Putz; D M P Mingos
ISBN: 9783642327490 3642327494 9783642327506 3642327508
OCLC Number: 828859279
Description: xii, 236 : illustrations (some color) ; 23 cm.
Contents: Recent progress in density functional methodology for biomolecular modeling / Dennis R. Salahub, Aurélien de la Lande, Annick Goursot, Rui Zhang, and Yue Zhang --
Density functional theory and molecular interactions: dispersion interactions / Eugene S. Kryachko --
Redox activation of small molecules at biological metal centers / Radu Silaghi-Dumitrescu --
The bond analysis techniques (ELF and maximum probability domains) application to a family of models relevant to bio-inorganic chemistry / Mauro Causà, Maddalena D'Amore, Carmine Garzillo, Franceso Gentile, and Andreas Savin --
Biological activity and toxicity: a conceptual DFT approach / Arindam Chakraborty, Sudip Pan, and Pratim K. Chattaraj --
DFT chemical reactivity driven by biological activity: applications for the toxicological fate of chlorinated PAHs / Mihai V. Putz, Ana-Maria Putz.
Series Title: Structure and bonding, 150.
Responsibility: Mihai V. Putz, D. Michael P. Mingos, editors ; with contributions by M. Causá [and others].

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