This corrected second edition contains new material which includes solvent effects, the treatment of singlet diradicals, and the fundamentals of computaional chemistry. "Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics" is an invaluable tool for teaching and researchers alike. The book provides an overview of the field, explains the basic underlying theory at a meaningful level that is not beyond beginners, and it gives numerous comparisons of different methods with one ...
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This corrected second edition contains new material which includes solvent effects, the treatment of singlet diradicals, and the fundamentals of computaional chemistry. "Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics" is an invaluable tool for teaching and researchers alike. The book provides an overview of the field, explains the basic underlying theory at a meaningful level that is not beyond beginners, and it gives numerous comparisons of different methods with one another and with experiment. The following concepts are illustrated and their possibilities and limitations are given: - potential energy surfaces; - simple and extended Hueckel methods; - ab initio, AM1 and related semiempirical methods; - density functional theory (DFT). Topics are placed in a historical context, adding interest to them and removing much of their apparently arbitrary aspect. The large number of references, to all significant topics mentioned, should make this book useful not only to undergraduates but also to graduate students and academic and industrial researchers.
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Add this copy of Computational Chemistry: Introduction to the Theory and to cart. $77.29, new condition, Sold by SurplusTextSeller rated 5.0 out of 5 stars, ships from Columbia, MO, UNITED STATES, published 2011 by Springer.
Add this copy of Computational Chemistry: Introduction to the Theory and to cart. $102.93, new condition, Sold by Ingram Customer Returns Center rated 5.0 out of 5 stars, ships from NV, USA, published 2011 by Springer.
Add this copy of Computational Chemistry: Introduction to the Theory and to cart. $62.93, fair condition, Sold by Goodwill of Orange County rated 4.0 out of 5 stars, ships from Santa Ana, CA, UNITED STATES, published 2011 by Springer.
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Fair. This is a USED book, it is subject to external and interior wear including, underlining, highlighting, annotations, water damage, minor scuffs and tears. This is a donated book accepted as is. Stickers and sticker residue on the cover should be expected, as well as spine wear from use. There are NO codes or disc(s) included. All items ship Monday-Friday within 2-3 business days. Thank you for supporting Goodwill of OC.
Add this copy of Computational Chemistry: Introduction to the Theory and to cart. $107.18, good condition, Sold by Bonita rated 4.0 out of 5 stars, ships from Newport Coast, CA, UNITED STATES, published 2011 by Springer.
Add this copy of Computational Chemistry: Introduction to the Theory and to cart. $163.61, new condition, Sold by Bonita rated 4.0 out of 5 stars, ships from Newport Coast, CA, UNITED STATES, published 2011 by Springer.
