Describes and discusses the use of theoretical models as an alternative to experiment in making accurate predictions of chemical phenomena. Addresses the formulation of theoretical molecular orbital models starting from quantum mechanics, and compares them to experimental results. Draws on a series of models that have already received widespread application and are available for new applications. A new and powerful research tool for the practicing experimental chemist.
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Editorial Reviews
From the Publisher
Describes and discusses the use of theoretical models as an alternative to experiment in making accurate predictions of chemical phenomena. Addresses the formulation of theoretical molecular orbital models starting from quantum mechanics, and compares them to experimental results. Draws on a series of models that have already received widespread application and are available for new applications. A new and powerful research tool for the practicing experimental chemist.
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Most Helpful Customer Reviews
8 of 8 people found the following review helpful:
4.0 out of 5 stars
Some dated material, still useful.,
By A Customer
This review is from: AB INITIO Molecular Orbital Theory (Hardcover)
As a graduate student studying quantum chemistry, I find this book useful as a reference. Much of the material is somewhat outdated, but still very applicable and useful for understanding the underlying theory. I would recommend this book for any chemist interested in understanding the theory of quantum chemical calculations or how to interpret the results of such calculations. I would consider it a must for students of quantum, theoretical, or computational chemistry who need to develop an understanding of theory.
9 of 13 people found the following review helpful:
2.0 out of 5 stars
Dated work. Not recommended.,
By A Customer
This review is from: AB INITIO Molecular Orbital Theory (Hardcover)
This old book attempts to describe basic quantum chemistry and walk one through a series of exercises using the Gaussian series of programs. Not really very useful.
1 of 22 people found the following review helpful:
5.0 out of 5 stars
orbital structure,
By A Customer
This review is from: AB INITIO Molecular Orbital Theory (Hardcover)
I want of all pictures of orbital structure
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Inside This Book
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First Sentence:
Two broadly different conceptual approaches to the approximate solution of the Schrodinger equation are possible. Read the first page Key Phrases - Statistically Improbable Phrases (SIPs): (learn more)
bond separation energies, bond separation reactions, uncorrected heats, bond separation energy, reaction transition structures, hydrogenation energies, experimental electric dipole moments, beryllium clusters, secondary butyl cation, cyclobutadiene dication, absolute proton affinities, hydroxymethyl cation, lithium substitution, planar methane, experimental thermochemical data, experimental equilibrium geometries, absolute acidities, trans barrier, best available calculations, cis barrier, valence molecular orbitals, relative proton affinities, acetyl cation, limited configuration interaction, interstitial electrons Key Phrases - Capitalized Phrases (CAPs): (learn more)
New York, Academic Press, Quantum Chem, Plenum Press, Gas Phase Ion Chemistry, Tetrahedron Lett, Molecule Point Group Geometrical Parameter, Indiana University, Mass Spectrom, Organic Chemistry, Modern Theoretical Chemistry, Topics Current Chem, American Chemical Society, Clarendon Press, Experimental Frequencyd, Pure Appl, Carbonium Ions, Experimental Entropy, National Bureau of Standards, Theoretical Entropy, Constants of Diatomic Molecules, Department of Chemistry, Effect of Substituents, Faraday Trans, Ion Phys New!
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Front Cover | Table of Contents | First Pages | Index | Back Cover | Surprise Me!
Two broadly different conceptual approaches to the approximate solution of the Schrodinger equation are possible. Read the first page Key Phrases - Statistically Improbable Phrases (SIPs): (learn more)
bond separation energies, bond separation reactions, uncorrected heats, bond separation energy, reaction transition structures, hydrogenation energies, experimental electric dipole moments, beryllium clusters, secondary butyl cation, cyclobutadiene dication, absolute proton affinities, hydroxymethyl cation, lithium substitution, planar methane, experimental thermochemical data, experimental equilibrium geometries, absolute acidities, trans barrier, best available calculations, cis barrier, valence molecular orbitals, relative proton affinities, acetyl cation, limited configuration interaction, interstitial electrons Key Phrases - Capitalized Phrases (CAPs): (learn more)
New York, Academic Press, Quantum Chem, Plenum Press, Gas Phase Ion Chemistry, Tetrahedron Lett, Molecule Point Group Geometrical Parameter, Indiana University, Mass Spectrom, Organic Chemistry, Modern Theoretical Chemistry, Topics Current Chem, American Chemical Society, Clarendon Press, Experimental Frequencyd, Pure Appl, Carbonium Ions, Experimental Entropy, National Bureau of Standards, Theoretical Entropy, Constants of Diatomic Molecules, Department of Chemistry, Effect of Substituents, Faraday Trans, Ion Phys New!
Books on Related Topics | Concordance | Text Stats Browse Sample Pages:
Front Cover | Table of Contents | First Pages | Index | Back Cover | Surprise Me!
Citations (learn more)
This book cites 53
books:
See all 53 books this book cites
- Gas Phase Ion Chemistry by Michael T. Bowers on 14 pages
- Organic Chemistry by Wiley on 4 pages
- Carbonium Ions Volume 3: Major Types (continued) (Reactive Intermediates in Organic Chemistry) by George A. Olah on 4 pages
- Carbonium Ions Volume 2: Methods of Formation and Major Types (Reactive Intermediates in Organic Chemistry S.) by George A. Olah on 4 pages
- Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules. by K. Huber on page 136, page 227, and page 232
See all 53 books this book cites
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