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Modelling of Molecular Properties

Modelling of Molecular Properties: Theoretical Principles and Numerical Simulations considers various aspects of Modelling of Molecular;

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Computer Simulation of Polymers

at the complex problems of time and size scaling in molecular modelling and simulation and includes not only atomistic modelling, but also;

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Molecular Modelling and Bonding

Why do molecules adopt particular shapes? What determines the physical and chemical properties of a material? Molecular Modelling and;

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Molecular Simulation Methods for Predicting Polymer Properties

polymers with desired properties. This book discusses what molecular modelling can do to predict the properties of realistic polymer systems;

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Computational Modelling of Nanomaterials

. 0D+1D nanomaterials). For each class, the focus will be on growth, structure, and physical/chemical properties. The book presents a;

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Multiscale Modelling of Soft Matter

, self-assembled structures and the links between molecular structure and bulk properties - Membranes: including collective processes in lipid;

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Guanine Quartets

, biochemical and biorecognition properties and applications in nanotechnology especially in molecular electronics. Appealing to researchers working;

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Molecular Modelling of Vitamin B12 and Its Analogues

Covers recent research on the following aspects of vitamin B12: structure, constitution, properties, nomenclature, organometallic;

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Modelling Molecular Structures

, chemists, materials scientists and zoologists can reach for their PC, Mac or laptop to model molecular phenomena of unbelievable complexity;

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Foundations of Nanotechnology, Volume Three

In this research notes book, the modelling of mechanical properties of CNT/polymer nanocomposites is presented. The book begins with the;

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Foundations of Nanotechnology, Volume Three

In this research notes book, the modelling of mechanical properties of CNT/polymer nanocomposites is presented. The book begins with the;

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New Trends in Chemical Physics Research

dynamics in base pair DNA systems; chemical physical properties of bioprotectant-biomolecule systems; chemical physics of phonons; optimisation;

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Microbial Interactions at Nanobiotechnology Interfaces - Molecular Mechanisms and Applications

specific size, shape, and properties, structure-function relationships, tailoring the surface of nanomaterials for improving the properties;

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Complex Molecular Surfaces and Interfaces

reactivity be optimised for selective and efficient processes? How reliable are methods for determining molecular conformation at surfaces? How can;

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Molecular Aggregation

results of structure analysis and molecular modelling of the condensed phases of organic compounds: quantum chemistry, the intermolecular;

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Modelling Molecular Structure and Reactivity in Biological Systems

Computational and theoretical tools for understanding biological processes at the molecular level is an exciting and innovative area;

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Modelling Corporation Tax Revenue

Modelling Corporation Tax Revenue examines the revenue growth properties of corporate income taxes and how firms respond to changes;

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Advances in Chemistry Research

vibrational properties of beryllium-vi polymorphs and their corresponding ground state and excited states using maximally-localized wannier functions;

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Computational Physics of Carbon Nanotubes

Carbon nanotubes are the fabric of nanotechnology. Investigation into their properties has become one of the most active fields of modern;

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Computational Physics of Carbon Nanotubes

Carbon nanotubes are the fabric of nanotechnology. Investigation into their properties has become one of the most active fields of modern;

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Computational Materials & Biological Sciences

of molecular shape and properties in protein and polymer engineering, drugs and materials design, structure-function relationships, and related issues;

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TEXTBOOK OF Molecular modelling and drug designing

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Modelling of GPCRs

that a large number of drugs, available on market, address GPCRs. For an efficient and improved development of appropriate drugs, molecular;

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Computational Molecular Modelling in Structural Biology

Computational Molecular modelling in Structural Biology, Volume 113, the latest release in the Advances in Protein Chemistry and;

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Computer Modelling of Electronic and Atomic Processes in Solids

, molecular and macroscopic levels. Many of the papers incorporate environmental effects in the computer models, including space effects such as;

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Molecular Modelling

This book is a practical, easy to use guide for readers with limited experience of molecular modelling. It will provide students at the;

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Modelling and Mechanics of Carbon-based Nanostructured Materials

working with nanostructures. The unique physical properties observed at the nanoscale are often counterintuitive, sometimes astounding;

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