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Information Theory of Molecular Systems

" (similarity) and independence. Information Theory of Molecular Systems applies standard IT to classical problems in the theory of electronic;

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Molecular Electronic-Structure Theory

of modern molecular electronic-structure theory. Topics covered in the book include: * Second quantization with spin adaptation * Gaussian basis;

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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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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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Ab Initio Rovibrational Spectroscopy

Since the inception of quantum chemistry in the mid-20th century, the interplay between theory and experiment has continually advanced our;

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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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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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Electronic, Atomic and Molecular Calculations

Molecular Calculations is designed to assist scientists applying GCM in the analysis of the electronic structure of atoms and molecules. There have;

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Quantum Chemistry

This guide is guaranteed to prove of keen interest to the broad spectrum of experimental chemists who use electronic structure theory to;

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Chemical Reactivity in Quantum Mechanics and Information Theory

Chemical Reactivity in Quantum Mechanics and Information Theory introduces a thermodynamic-like description of molecular systems and;

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Theory and Applications of Green Corrosion Inhibitors

Electronic Devices, Biological Wastes, Biodegradable Plants, Smart Coatings, Quantum Chemistry, Molecular Dynamics, Simulation, Quantitative;

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Novel Electronic Structure Theory: General Innovations and Strongly Correlated Systems

Novel Electronic Structure Theory: General Innovations and Strongly Correlated Systems, Volume 76, the latest release in the Advances;

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The Potential Distribution Theorem and Models of Molecular Solutions

An understanding of statistical thermodynamic molecular theory is fundamental to the appreciation of molecular solutions. This complex;

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The Potential Distribution Theorem and Models of Molecular Solutions

An understanding of statistical thermodynamic molecular theory is fundamental to the appreciation of molecular solutions. This complex;

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Computational Quantum Chemistry

Computational Quantum Chemistry presents computational electronic structure theory as practised in terms of ab initio waveform methods and;

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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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Conceptual Perspectives in Quantum Chemistry

theory for molecules and solids; localized atomic hybrids; quantum electrodynamics and molecular structure; aspects of the chemical bond; Lie;

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Concepts and Methods in Modern Theoretical Chemistry

learn how concepts from ab initio quantum chemistry, density functional theory (DFT), and molecular simulation can be used to describe;

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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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Quantum Chemistry

mechanics, atomic structure, and molecular electronics, and clearly demonstrates the usefulness and limitations of current quantum-mechanical;

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Concepts and Methods in Modern Theoretical Chemistry

and solids, electronic stress, and electron affinity difference The information theory and the virial theorem New periodic;

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Concepts and Methods in Modern Theoretical Chemistry

and solids, electronic stress, and electron affinity difference The information theory and the virial theorem New periodic;

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Attosecond and Strong-Field Physics

discussion of the fundamental theory of attosecond and strong-field physics follows, including the molecular tunnelling ionization model (MO-ADK;

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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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Molecular Symmetry and Group Theory

The mathematical fundamentals of molecular symmetry and group theory are comprehensibly described in this book. Applications are given;

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