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Proceedings of MEST 2012: Exponential Type Orbitals for Molecular Electronic Structure Theory

of current topics in this rapidly developing field and this volume focuses on the theory of heavy ion physics in medicine;

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Proceedings of MEST 2012: Electronic Structure Methods with Applications to Experimental Chemistry

of current topics in this rapidly developing field and this volume focuses on the theory of heavy ion physics in medicine;

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An Introduction to Electronic Structure Theory

In An Introduction to Electronic Structure Theory, Quantum Information Theory is applied to donor-acceptor systems. Reaction stages and;

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Problems in Structural Inorganic Chemistry

Orbitals, Hybrid Orbitals, Molecular Symmetry, Molecular Geometry and Bonding, Crystal Field Theory, Molecular Orbital Theory, Vibrational;

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State of The Art of Molecular Electronic Structure Computations: Correlation Methods, Basis Sets and More

State of the Art of Molecular Electronic Structure Computations: Correlation Methods, Basis Sets and More, Volume 79 in the Advances;

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Electronic Structure of Organic Semiconductors

small molecules. The text is intended to assist graduate students and researchers in the field of organic electronics to use theory to design;

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Information Theory of Molecular Systems

reactivity.Provides powerful tools for tackling both classical and new problems in the theory of the molecular electronic structure and;

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Applied Group Theory

This text introduces advanced undergraduates and graduate students to symmetry relations by means of group theory. Key relationships are;

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Molecular Electronic-Structure Theory

of quantum chemistry as well as for nonspecialists who wish to acquire a thorough understanding of ab initio molecular electronic-structure theory;

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Molecular Orbitals and Organic Chemical Reactions

ProfessorIan Fleming, winner of the PROSE Award in Chemistry and Physics for Molecular Orbitals and Organic Chemical Reactions. Molecular orbital;

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Molecular Orbitals & Organic Chemical

congratulate Professor Ian Fleming, winner of the PROSE Award in Chemistry and Physics for Molecular Orbitals and Organic Chemical Reactions;

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Research in Computational Molecular Biology

This book constitutes the refereed proceedings of the 16th Annual International Conference on Research in Computational Molecular Biology;

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Molecular Orbitals and Organic Chemical Reactions

congratulate Professor Ian Fleming, winner of the PROSE Award in Chemistry and Physics for Molecular Orbitals and Organic Chemical Reactions.Molecular;

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Heat Transfer Physics

and fluid-state physics, and quantum optics. The textbook presents a unified theory, over fine-structuremolecular-dynamics/Boltzmann;

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Quantum Information Theory of Molecular States

The Quantum Information Theory (IT) perspective on entropic origins of the molecular electronic structure and chemical reactivity;

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Orbitals in Chemistry

Molecular properties and reactions are controlled by electrons in the molecules. Electrons had been thought to be particles. Quantum;

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Ab Initio Molecular Dynamics

, including chemical reactions, by unifying molecular dynamics and electronic structure theory. This book provides the first coherent presentation;

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Ab Initio Molecular Dynamics

, including chemical reactions, by unifying molecular dynamics and electronic structure theory. This book provides the first coherent presentation;

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Simulations of Charge Transport in Organic Compounds

of the compounds. To this end, molecular dynamics (MD) simulations are performed yielding realistic equilibrated morphologies. Partial charges;

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The Determination and Interpretation of Molecular Wave Functions

have been developed for the determination and interpretation of molecular wave functions. Although a comprehensive theory of the electronic;

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Advances in Bioinformatics and Computational Biology

, in August 2012. The 16 regular papers presented were carefully reviewed and selected for inclusion in this book. It also contains a joint paper;

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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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Quantum Theory for Chemical Applications

guiding text for scholars and students alike. Quantum Theory for Chemical Applications covers the quantum theory of atoms, molecules, and;

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Valence Bond Methods

Valence bond theory is one of two commonly used methods in molecular quantum mechanics, the other is molecular orbital theory. This book;

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Valence Bond Methods

Valence bond theory is one of two commonly used methods in molecular quantum mechanics, the other is molecular orbital theory. This book;

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Electronic, Atomic and Molecular Calculations

The Generator Coordinate Method (GCM) is a mathematical tool for the understanding of stable atomic nuclei. Electronic, Atomic and;

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Metallic Bond & the Structure of Metals

of the atoms and wave functions -- by applying chemical bond theory and the methods of valent bonds and molecular orbits. This book develops the;

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