Quantum Modeling of Complex Molecular Systems

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Quantum Modeling of Complex Molecular Systems

Quantum Modeling of Complex Molecular Systems By Jean-Louis Rivail, Manuel Ruiz-Lopez, Xavier Assfeld
2015 | 250 Pages | ISBN: 3319216252 | PDF | 14 MB

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 including: methods adapted to the computation of systems containing hundreds of atoms; advances in hybrid Quantum Mechanical/Molecular Mechanical methods; studies of molecular solids, studies of molecular liquids and solutions and new methodologies, applications in particular to biomacromolecules. 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.

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