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Fragmentation: Toward Accurate Calculations on Complex Molecular Systems introduces the reader to the broad array of fragmentation and embedding methods that are currently available or under development to facilitate accurate calculations on large, complex systems such as proteins, polymers, liquids and nanoparticles. These methods work by subdividing a system into subunits, called fragments or subsystems or domains. Calculations are performed on each fragment and then the results are combined to predict properties for the whole system. Topics covered include: Fragmentation methods Embedding methods Explicitly correlated local electron correlation methods Fragment molecular orbital method Methods for treating large molecules This book is aimed at academic researchers who are interested in computational chemistry, computational biology, computational materials science and related fields, as well as graduate students in these fields.
Oana Cazacu Dynamic Damage and Fragmentation oana cazacu dynamic damage and fragmentation
Mark Gordon S. Fragmentation: Toward Accurate Calculations on Complex Molecular Systems oana cazacu dynamic damage and fragmentation
Kevin Murphy D. Modeling and Estimation of Structural Damage oana cazacu dynamic damage and fragmentation
Wilfried M. A. Niessen Interpretation of MS-MS Mass Spectra of Drugs and Pesticides oana cazacu dynamic damage and fragmentation
Brandon New Orthodontic Braces Ruin Your Child's Physical Health, Cause Brain Damage, Cause Neurological Damage, Ruin Emotional Health, Reduce Usable I.Q., Damage Sports Coordination oana cazacu dynamic damage and fragmentation
Christos Kassapoglou Modeling the Effect of Damage in Composite Structures. Simplified Approaches oana cazacu dynamic damage and fragmentation


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