Putz, Mihai V.
[HerausgeberIn];
Causá, M.
[Sonstige Person, Familie und Körperschaft];
Mingos, David M. P.
[HerausgeberIn];
Causá, Mauro
[Sonstige Person, Familie und Körperschaft]
Applications of density functional theory to biological and bioinorganic chemistry
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Medientyp:
Buch
Titel:
Applications of density functional theory to biological and bioinorganic chemistry
Enthält:
Recent progress in density functional methodology for biomolecular modeling / Dennis R. Salahub, Aurélien de la Lande, Annick Goursot, Rui Zhang, and Yue ZhangDensity 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.