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Elementary Quantum Chemistry
Useful introductory course and reference covers origins of quantum theory, Schrödinger wave equation, quantum mechanics of simple systems, electron spin, quantum states of atoms, Hartree-Fock self-consistent field method, more. 1990 edition.
Elementary Quantum Chemistry, Second Edition
As the author notes in the Preface to this valuable text, experimental chemists have moved past studying the average behavior of atoms or molecules "to probe the step-by-step behavior of individual atoms and molecules as they collide, form 'transition states,' and ultimately form products." In such experiments, quantum mechanical computations do two useful tasks: They fill in the observational gaps and help to interpret what has been observed. This introductory course — developed by the former chairman of the chemistry department at the University of New Hampshire — covers, among other topics, the origins of the quantum theory, the Schrödinger wave equation, the quantum mechanics of sim...
Introduction to Stereochemistry
Molecular shape, form, and symmetry play a central role in organic chemistry, and this text presents a brief introduction to the conceptual basis of stereochemistry. Its focus lies in the fundamentals of structural stereochemistry, rather than the dynamic aspects that are more relevant to reaction mechanisms. The three-part treatment deals with structure and symmetry, stereoisomerism, and the separation and configuration of stereoisomers. The first section reviews molecular architecture, relating empirical bonding geometries to the hybridization of the central carbon atom. Students receive a nonrigorous treatment of symmetry elements and point groups, with particular focus on the presence or...
Handbook of Computational Quantum Chemistry
This comprehensive text provides upper-level undergraduates and graduate students with an accessible introduction to the implementation of quantum ideas in molecular modeling, exploring practical applications alongside theoretical explanations. Topics include the Hartree-Fock method; matrix SCF equations; implementation of the closed-shell case; introduction to molecular integrals; and much more. 1998 edition.
Statistical Mechanics
Sufficiently rigorous for introductory or intermediate graduate courses, this text offers a comprehensive treatment of the techniques and limitations of statistical mechanics. 82 figures. 15 tables. 1962 edition.
Quantum Dynamics
Even though time-dependent spectroscopic techniques continue to push the frontier of chemical physics, they receive scant mention in introductory courses and are poorly covered in standard texts. Quantum Dynamics: Applications in Biological and Materials Systems bridges the gap between what is traditionally taught in a one-semester quantum chemistr
Mendeleev on the Periodic Law
By the dawn of the nineteenth century, "elements" had been defined as basic building blocks of nature resistant to decomposition by chemical means. In 1869, the Russian chemist Dmitri Ivanovich Mendeleev organized the discord of the elements into the periodic table, assigning each element to a row, with each row corresponding to an elemental category. The underlying order of matter, hitherto only dimly perceived, was suddenly clearly revealed. This is the first English-language collection of Mendeleev's most important writings on the periodic law. Thirteen papers and essays, divided into three groups, reflect the period corresponding to the initial establishment of the periodic law (three papers: 1869-71), a period of priority disputes and experimental confirmations (five papers: 1871-86), and a final period of general acceptance for the law and increasing international recognition for Mendeleev (five papers: 1887-1905). A single, easily accessible source for Mendeleev's principle papers, this volume offers a history of the development of the periodic law, written by the law's own founder.
Chemical and Catalytic Reaction Engineering
Designed to give chemical engineers background for managing chemical reactions, this text examines the behavior of chemical reactions and reactors; conservation equations for reactors; heterogeneous reactions; fluid-fluid and fluid-solid reaction systems; heterogeneous catalysis and catalytic kinetics; diffusion and heterogeneous catalysis; and analyses and design of heterogeneous reactors. 1976 edition.
Symmetry in Chemistry
Developed in an essentially nonmathematical way, this text covers symmetry elements and operations, multiple symmetry operations, multiplication tables and point groups, group theory applications, and crystal symmetry. 1977 edition.
Introduction to the Quantum World of Atoms and Molecules
This invaluable book provides a balanced and integrated introduction to the quantum world of atoms and molecules. The underlying basis of quantum mechanics is carefully developed, with respect for the historical tradition and from a molecular angle. The fundamental concepts in the theory of atomic and molecular structure are thoroughly discussed, as are the central techniques needed in quantum-chemical applications. Special attention is paid to exposing and clarifying the common ground of Hartree?Fock theory and density-functional theory. Throughout the text, the discussion is pedagogically obliging and aims at simplicity and mathematical clarity, while avoiding the use of advanced mathematics. End-of-chapter problems supplement the main text.
