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Principles of Inorganic Chemistry

, density functional theory, VSEPR theory and the molecular symmetry group theory are integral to the development of this field. Inorganic chemistry;

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Computational Chemistry Methodology in Structural Biology and Materials Sciences

to bioactive molecules. It looks at various aspects of density functional theory and other issues. Part 2, on Computational Chemistry;

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Computational Chemistry Methodology in Structural Biology and Materials Sciences

to bioactive molecules. It looks at various aspects of density functional theory and other issues. Part 2, on Computational Chemistry;

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Inorganic Reactions And Methods

Boasting numerous industrial applications, inorganic chemistry forms the basis for research into new materials and bioinorganic compounds;

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Inorganic Reactions And Methods

Boasting numerous industrial applications, inorganic chemistry forms the basis for research into new materials and bioinorganic compounds;

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Inorganic Reactions And Methods

Boasting numerous industrial applications, inorganic chemistry forms the basis for research into new materials and bioinorganic compounds;

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Computational Inorganic and Bioinorganic Chemistry

impact of density functional theory (DFT) and its implementation in commercial and freeware programs for quantum chemical calculations. Improved;

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Principles Of Bioinorganic Chemistry

A concepts-orientated introduction to bioinorganic chemistry covering topics including: properties of biological molecules; physical;

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Density Functional Theory

Density Functional Theory (DFT) is a quantum mechanical modelling method, used in physics and chemistry to investigate the electronic;

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Physical Methods in Bioinorganic Chemistry

This text provides detailed coverage of physical methods used in bioinorganic chemistry. Individual chapters are devoted to electronic;

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Bioinorganic Photochemistry

scientists new to the field, and will be a key reference source for advanced courses in inorganic, and bioinorganic chemistry.;

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Bioinorganic Chemistry An Intro

function, and exploring how the chemistry of these elements is central to the function of biological systems. With sidebars that both review;

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Bioinorganic Vanadium Chemistry

Rehder addresses the major aspects of vanadium chemistry related to living organisms and the mutual impact between biological and inorganic;

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Mathematical Physics in Theoretical Chemistry

include density functional theory, computational methods in biological chemistry, and Hartree-Fock methods. As the second volume in the;

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Copper-Oxygen Chemistry

spectroscopy and related theory to bioinorganic models and applications.;

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Principles and Applications of Quantum Chemistry

bibliographic references to guide you, and throughout the book chapters cover important advances in the field including: Density functional theory (DFT;

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Concepts and Models in Bioinorganic Chemistry

pertinent fields provide a didactically well-organized background on relevant biological systems, as well as on their structural, functional and;

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Biological Chemistry of Arsenic, Antimony and Bismuth

Bi Biological Chemistry of Arsenic, Antimony and Bismuth conveys the essential aspects of the bioinorganic chemistry of these three elements;

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Quantum Simulations of Materials and Biological Systems

functional theory (DFT) and its applications to material and biological systems. The recent developments of correlation functionals;

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Applications of Physical Methods to Inorganic and Bioinorganic Chemistry

Modern spectroscopic and instrumental techniques are essential to the practice of inorganic and bioinorganic chemistry. This first volume;

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Bioinorganic Chemistry

of metalloproteins and artificially introduced metals in medicine and toxicology. Some of the focus areas in bioinorganic chemistry are the study;

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Quantal Density Functional Theory II

him for agreeing to do so. Hence, we published Quantal Density Functional Theory in 2004, and are now publishing Quantal Density Functional;

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Density Functional Theory in Quantum Chemistry

In this book, density functional theory (DFT) is introduced within the overall context of quantum chemistry. DFT has become the most;

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Structural Chemistry

density functional theory (DFT) methods, electronegativity and hard and soft (Lewis) acid and base (HSAB) concepts, hybridization and aromaticity;

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Spectroscopy, Theory and Mechanism in Bioinorganic Chemistry

chemistry to biological problems require spectroscopists and theoretical chemists to collaborate with each other and with a wide range of other;

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Density Functional Theory and Its Application to Materials

construction of exchange-correlation functionals used in density functional theory for ground and excited states are presented. Applications to;

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New Horizons in Density Functional Theory

Challenges for large scale simulation Strong correlation in density-functional theory New approaches to study excited states in density-functional;

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