A Chemist's Guide to Valence Bond Theory (Hardcover)

Langue : anglais

Edité par John Wiley & Sons Inc, New York, 2026

1394238797 / 9781394238798

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Hardcover. Updated resource on theoretical aspects and applications of valence bond methods to chemical calculations A Chemists 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 Chemists 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 realSpin Hamiltonian valence bond theory and its applications to organic radicals, diradicals, and polyradicals A Chemists 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. This item is printed on demand. Shipping may be from our Sydney, NSW warehouse or from our UK or US warehouse, depending on stock availability.…

N° de réf. du vendeur 9781394238798

Titre
A Chemist's Guide to Valence Bond Theory (Hardcover)
Auteur
David Danovich
Éditeur
John Wiley & Sons Inc, New York
Année de publication
2026
État de l'article
new
Reliure
Hardcover
Langue
anglais
ISBN à 10 chiffres
1394238797
ISBN à 13 chiffres
9781394238798
Édition
2ème Édition

AussieBookSeller

Truganina, VIC, Australie

Vendeur avec une évaluation de 5 étoiles

Vendeur AbeBooks depuis 22 juin 2007

Frais d'expédition de Australie vers Etats-Unis

Article25 à 45 jours ouvrés8 à 14 jours ouvrés
Premier articleEUR 32,89EUR 39,12
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