philippe c hiberty (17 risultati)

Hardcover. Condizione: Good. 1st Edition. Minor edge and corner wear; no dj; lightly scuffed and scratched; corners are gently bumped and rubbed; some light shelf wear; ex-library with the usual library markings; overall a nice used copy! Color illustrated boards with yellow and white lettering. 316 informative and educational pages! "This reference on current VB theory and applications presents a practical system that can be applied to a variety of chemical problems in a uniform manner. After explaining basic VB theory, it discusses VB applications to bonding problems, aromaticity and antiaromaticity, the dioxygen molecule, polyradicals, excited states, organic reactions, inorganic/organometallic reactions, photochemical reactions, and catalytic reactions. With a guide for performing VB calculations, exercises and answers, and numerous solved problems, this is the premier reference for practitioners and upper-level students.".

hardcover. Condizione: Very Good.

hardcover. Condizione: Good. May contain some writing/highlighting. Cover shows wear from normal use. Supplemental materials such as CDs or access codes are not included unless otherwise noted.

Condizione: New.

Condizione: New. pp. 496 2nd edition NO-PA16APR2015-KAP.

Condizione: New. pp. 496.

Condizione: New.

Condizione: As New. Unread book in perfect condition.

Condizione: New. pp. 496.

Condizione: New.

Condizione: New. In English.

Condizione: As New. Unread book in perfect condition.

Hardback. Condizione: New. Updated resource on theoretical aspects and applications of valence bond methods to chemical calculations A Chemist's Guide to Valence Bond Theory explains how to use valence bond theory to think concisely and rigorously and how to use VB computations. It familiarizes the reader with the various VB-based computational tools and methods available today and their use for a given chemical problem and provides samples of inputs/outputs that instruct the reader on how to interpret the results. The book also covers the theoretical basis of Valence Bond (VB) theory and its applications to chemistry in the ground- and excited-states. Applications discussed in the book include sets of exercises and corresponding answers on bonding problems, organic reactions, inorganic/organometallic reactions, and bioinorganic/ biochemical reactions. This Second Edition contains a new chapter on chemical bonds which includes sections on covalent, ionic, and charge-shift bonds as well as triplet bond pairs, a new chapter on the Breathing-Orbital VB method with its application to molecular excited states, and several new sections discussing recent developments such as DFT-based methods and solvent effects via the Polarizable Continuum Model (PCM). A Chemist's Guide to Valence Bond Theory includes information on: Writing and representing valence bond wave functions, overlaps between determinants, and valence bond formalism using the exact HamiltonianGenerating a set of valence bond structures and mapping a molecular orbital-configuration interaction wave function into a valence bond wave functionThe alleged "failures" of valence bond theory, such as the triplet ground state of dioxygen, and whether or not these failures are "real"Spin Hamiltonian valence bond theory and its applications to organic radicals, diradicals, and polyradicals A Chemist's Guide to Valence Bond Theory is an essential reference on the subject for chemists who are not necessarily experts on theory but have some background in quantum chemistry. The text is also appropriate for upper undergraduate and graduate students in advanced courses on valence bond theory.

Hardback. Condizione: New. Updated resource on theoretical aspects and applications of valence bond methods to chemical calculations A Chemist's Guide to Valence Bond Theory explains how to use valence bond theory to think concisely and rigorously and how to use VB computations. It familiarizes the reader with the various VB-based computational tools and methods available today and their use for a given chemical problem and provides samples of inputs/outputs that instruct the reader on how to interpret the results. The book also covers the theoretical basis of Valence Bond (VB) theory and its applications to chemistry in the ground- and excited-states. Applications discussed in the book include sets of exercises and corresponding answers on bonding problems, organic reactions, inorganic/organometallic reactions, and bioinorganic/ biochemical reactions. This Second Edition contains a new chapter on chemical bonds which includes sections on covalent, ionic, and charge-shift bonds as well as triplet bond pairs, a new chapter on the Breathing-Orbital VB method with its application to molecular excited states, and several new sections discussing recent developments such as DFT-based methods and solvent effects via the Polarizable Continuum Model (PCM). A Chemist's Guide to Valence Bond Theory includes information on: Writing and representing valence bond wave functions, overlaps between determinants, and valence bond formalism using the exact HamiltonianGenerating a set of valence bond structures and mapping a molecular orbital-configuration interaction wave function into a valence bond wave functionThe alleged "failures" of valence bond theory, such as the triplet ground state of dioxygen, and whether or not these failures are "real"Spin Hamiltonian valence bond theory and its applications to organic radicals, diradicals, and polyradicals A Chemist's Guide to Valence Bond Theory is an essential reference on the subject for chemists who are not necessarily experts on theory but have some background in quantum chemistry. The text is also appropriate for upper undergraduate and graduate students in advanced courses on valence bond theory.

Buch. Condizione: Neu. Neuware - Updated resource on theoretical aspects and applications of valence bond methods to chemical calculations A Chemist's Guide to Valence Bond Theory explains how to use valence bond theory to think concisely and rigorously and how to use VB computations. It familiarizes the reader with the various VB-based computational tools and methods available today and their use for a given chemical problem and provides samples of inputs/outputs that instruct the reader on how to interpret the results. The book also covers the theoretical basis of Valence Bond (VB) theory and its applications to chemistry in the ground- and excited-states. Applications discussed in the book include sets of exercises and corresponding answers on bonding problems, organic reactions, inorganic/organometallic reactions, and bioinorganic/ biochemical reactions. This Second Edition contains a new chapter on chemical bonds which includes sections on covalent, ionic, and charge-shift bonds as well as triplet bond pairs, a new chapter on the Breathing-Orbital VB method with its application to molecular excited states, and several new sections discussing recent developments such as DFT-based methods and solvent effects via the Polarizable Continuum Model (PCM). A Chemist's Guide to Valence Bond Theory includes information on: - Writing and representing valence bond wave functions, overlaps between determinants, and valence bond formalism using the exact Hamiltonian- Generating a set of valence bond structures and mapping a molecular orbital-configuration interaction wave function into a valence bond wave function- The alleged 'failures' of valence bond theory, such as the triplet ground state of dioxygen, and whether or not these failures are 'real'- Spin Hamiltonian valence bond theory and its applications to organic radicals, diradicals, and polyradicals A Chemist's Guide to Valence Bond Theory is an essential reference on the subject for chemists who are not necessarily experts on theory but have some background in quantum chemistry. The text is also appropriate for upper undergraduate and graduate students in advanced courses on valence bond theory.

Condizione: New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. The state-of-the-art in contemporary theoretical chemistry is presented in this 4-volume set with numerous contributions from the most highly regarded experts in their field. It provides a concise introduction and critical evaluation of theoretical approach.

Condizione: New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. Benzenoid hydrocarbons in space: The evidence and implications.- The distortive tendencies of delocalized ? electronic systems. Benzene, cyclobutadiene and related heteroannulenes.- The spin-coupled valence bond description of benzenoid aromatic molecules.-.