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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.
This three-part treatment translates the technical language of research monographs on the theory of free energy transfer in biology, making the subject more accessible to novices. 1989 edition.
Introduction to problems of molecular structure and motion covers calculus of orthogonal functions, algebra of vector spaces, and Lagrangian and Hamiltonian formulation of classical mechanics. Answers to problems. 1966 edition.
This authoritative reference features extensive coverage of structural information as well as theory and applications. Helpful data on molecular geometries, bond lengths, and band angles appear in tables and other graphics. 1991 edition.
Profile of evolution of the "spin" concept from its role in quantum mechanics to its assimilation into the field of chemistry examines spin and valence, spin Hamiltonians, more. 1970 edition.
This unified treatment introduces upper-level undergraduates and graduate students to the concepts and the methods of molecular spectroscopy and applications to quantum electronics, lasers, and related optical phenomena. 1985 edition.
Pedagogical classic and essential reference focuses on mathematics of detailed vibrational analyses of polyatomic molecules, advancing from application of wave mechanics to potential functions and methods of solving secular determinant.
"This is truly a delightful monograph." -- Canadian Chemical EducationDesigned as a useful, accessible introduction to the logical development of basic crystallographic concepts, this book presents important principles in a clear, concise manner that will enable the nonspecialist to read and comprehend crystallographic literature. Explanations are concise and mathematical prerequisites have been kept to a minimum.In the first four chapters, the author presents the vocabulary of crystallography, with discussions of lattice points, unit cells, symmetry, point groups, crystal systems, space groups, and equivalent positions. The principles of x-ray diffraction and methods of determining crystal structures are summarized in the next two chapters. The final chapter describes various simple structures. Appendixes list the 230 space groups, introduce the reciprocal lattice, and describe the powder method. A well-chosen selection of problems (with solutions) encourages self-study.Ideal as the basis for a course in crystallography and highly useful as an adjunct to physical chemistry courses, this book will also serve as an excellent reference for practicing chemists, mineralogists, metallurgists, and other workers in the field. 1969 edition.
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