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Linear-Scaling Techniques in Computational Chemistry and Physics summarizes recent progresses in linear-scaling techniques and their;
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in chemistry and molecular physics. Recent developments of computational methods have enabled previously intractable chemical problems to be solved;
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This book offers a theoretical and computational presentation of a variety of linear programming algorithms and methods with an emphasis on;
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Mathematical Physics in Theoretical Chemistry deals with important topics in theoretical and computational chemistry. Topics covered;
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Science used to be experiments and theory, now it is experiments, theory and computations. The computational approach to understanding;
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toparticular non-linear problems; (ii) theoretical and computational studies dedicated to the physics and chemistry of non-linear micro-and nano-scale;
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spectroscopist to interpret and assign real spectra. aeo Offers a comprehensive treatment of modern computation techniques. aeo Provides a collection;
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Computational chemistry is increasingly used in conjunction with organic, inorganic, medicinal, biological, physical, and analytical;
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. It presents a complete tour of both the formal advances and experimental results associated with the notion of scaling, in physics, chemistry;
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for well-posed problems); physics scaling (homogenization techniques); Constructal Law criteria in morphing shape and structure of systems;
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Essential Computational Modeling in Chemistry presents key contributions selected from the volume in the Handbook of Numerical Analysis;
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Soft condensed matter physics relies on a fundamental understanding at the interface between physics, chemistry, biology, and engineering;
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Non-covalent Interactions in Quantum Chemistry and Physics: Theory and Applications provides an entry point for newcomers and a;
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This book includes within its scope: Computational models in Physics and Physical Chemistry; Computer programs in Physics and Physical;
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, degeneracy procedures, parametric linear programming and sensitivity analysis, and additional computational techniques. The treatment of applications;
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Introduction to Computational Chemistry 3rd Edition provides a comprehensive account of the fundamental principles underlying different;
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mathematics and techniques needed to simulate magnetically confined plasmas in modern magnetic fusion experiments and future magnetic fusion reactors;
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Theoretical and Computational Chemistry research has made unparalleled advancements in understanding every expanding area of science and;
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techniques and hidden gems on topics such as linear algebra, differential equations, root-finding, interpolation, and integration. Accompanying the;
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techniques and hidden gems on topics such as linear algebra, differential equations, root-finding, interpolation, and integration. Accompanying the;
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to theoretical and computational chemistry for all those working in chemical physics, physical chemistry and related fields.
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Written by distinguished researchers in carbon, the long-running series Chemistry and Physics of Carbon provides a comprehensive overview;
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concepts and techniques behind the Landau theory of phase transitions. Adopting a computational approach to the application of group theoretical;
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of complex, disorderly patterns under conditions far from equilibrium. The application of fractal geometry and scaling concepts to the quantitative;
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in computational power and the advent of linear scaling technologies the systems to which DFT may be applied have become ever larger, more complex and more;
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findings and methods in the diverse field of computational chemistry, focusing on molecular modeling techniques used in drug discovery and the drug;
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