Quantum Modeling of Complex Molecular Systems
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Beschreibung
This multi-author contributed volume includes methodological advances and original applications to actual chemical or biochemical phenomena which were not possible before the increased sophistication of modern computers. The chapters contain detailed reviews of the developments of various computational techniques, used to study complex molecular systems such as molecular liquids and solutions (particularly aqueous solutions), liquid-gas, solid-gas interphase and biomacromolecular systems.
Quantum modeling of complex molecular systems is a useful resource for graduate students and fledgling researchers and is also an excellent companion for research professionals engaged in computational chemistry, material science, nanotechnology, physics, drug design, and molecular biochemistry.
This multi-author contributed volume includes methodological advances and original applications to actual chemical or biochemical phenomena which were not possible before the increased sophistication of modern computers. The chapters contain detailed reviews of the developments of various computational techniques, used to study complex molecular systems such as molecular liquids and solutions (particularly aqueous solutions), liquid-gas, solid-gas interphase and biomacromolecular systems.
Quantum modeling of complex molecular systems is a useful resource for graduate students and fledgling researchers and is also an excellent companion for research professionals engaged in computational chemistry, material science, nanotechnology, physics, drug design, and molecular biochemistry.
Edited by a well known academic of international distinction Introduces new insights into structure/activity relationships Includes state-of-the-art molecular modelling studies of very large systems Includes supplementary material: sn.pub/extras
Autor*in
Jean-Louis Rivail
Themen in »Quantum Modeling of Complex Molecular Systems«
Enzymes Mechanisms Modeling Molecular Dynamics Enzymes Molecular Materials Molecular Modeling Enzymes QM/MM methods Recent Quantum Codes for Very Large Systems Protein-Ligand Interactions