 Engel, Thomas, 1942 author.
 Fourth edition.  [New York] : Pearson, [2019]
 Description
 Book — xii, 543 pages : color illustrations ; 29 cm
 Summary

Chapter 15, Computational chemistry, was contributed by Warren Hehre, CEO, Wavefunction, Inc. Chapter 17, Nuclear magnetic resonance spectroscopy, was contributed by Alex Angerhofer, University of Florida.
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QD462 .E53 2019  Unknown 
 Child, M. S. author.
 Second edition.  Oxford ; New York : Oxford University Press, 2014.
 Description
 Book — ix, 433 p. : ill. ; 26 cm
 Summary

 1. Introduction
 2. Phase Integral Approximations
 3. Quantization
 4. AngleAction Variables
 5. Matrix Elements
 6. Semiclassical Inversion Methods
 7. NonSeparable Bound Motion
 8. Wavepackets
 9. AtomAtom Scattering
 10. The Classical S Matrix
 11. Reactive Scattering
 Appendix A: Phase Integral Techniques
 Appendix B: Uniform Approximations and Diffraction Integrals
 Appendix C: Transformations in Classical and Quantum Mechanics
 Appendix D: The Onset of Chaos
 Appendix E: AngleAction Transformations
 Appendix F: The Monodromy Matrix
 Appendix G: Solutions to Problems.
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QD96 .M65 C48 2014  Unknown 
 Quanta, matter and change
 Atkins, P. W. (Peter William), 1940 author.
 2nd ed.  Oxford : Oxford University Press, c2014.
 Description
 Book — xxi, 986 p. : ill. (some col.) ; 27 cm
 Summary

 Focus 1: Foundations
 Mathematical background 1: Differentiation and integration
 Focus 2: The principles of quantum mechanics
 Mathematical background 2: Differential equations
 Focus 3: The quantum mechanics of motion
 Mathematical background 3: Complex numbers
 Focus 4: Approximation methods
 Focus 5: Atomic structure and spectra
 Mathematical background 4: Vectors
 Focus 6: Molecular structure
 Mathematical background 5: Matrices
 Focus 7: Molecular symmetry
 Focus 8: Interactions
 Mathematical background 6: Fourier transforms
 Focus 9: Molecular spectroscopy
 Focus 10: Magnetic resonance
 Focus 11: Statistical thermodynamics
 Mathematical background 7: probability theory
 Focus 12: The First Law of thermodynamics
 Mathematical background 8: Multivariate calculus
 Focus 13: The Second and Third Laws of thermodynamics
 Focus 14: Physical equilibria
 Focus 15: Chemical equilibria
 Focus 16: Molecular motion
 Focus 17: Chemical kinetics
 Focus 18: Reaction dynamics
 Focus 19: Processes in fluid systems
 Focus 20: Processes on solid surfaces
 Resource section.
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QD462 .A85 2014  Unknown 
 Putz, Mihai V. author.
 Hershey, PA : Engineering Science Reference, [2014]
 Description
 Book — xvi, 509 pages : illustrations ; 29 cm.
 Summary

With the emergence of nanoscience and technology in the 21st century, research has shifted its focus on the quantum and optical dynamical properties of matter such as atoms, molecules, and solids which are properly characterised in their dynamic state. <em>Quantum and Optical Dynamics of Matter for Nanotechnology</em> carefully addresses the general key concepts in this field and expands to more complex discussions on the most recent advancements and techniques related to quantum dynamics within the confines of physical chemistry. This book is an essential reference for academics, researchers, professionals, and advanced students interested in a modern discussion of a niche area of nanotechnology.
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QD462 .P88 2014  Unknown 
 Toronto : Apple Academic Press, 2014.
 Description
 Book — 2 volumes : illustrations ; 24 cm.
 Summary

The major goals of quantum chemistry include increasing the accuracy of the results for small molecular systems and increasing the size of large molecules that can be processed, which is limited by scaling considerationsthe computation time increases as a power of the number of atoms. This book offers scope for academics, researchers, and engineering professionals to present their research and development works that have potential for applications in several disciplines of computational chemistry. Contributions range from new methods to novel applications of existing methods to gain an understanding of the concepts.
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QD462.6 .D38 Q25 2014 V.1  Unknown 
QD462.6 .D38 Q25 2014 V.2  Unknown 
 Cooksy, Andrew.
 Boston : Pearson, [2014]
 Description
 Book — xvi, 575 pages : color illustrations ; 26 cm
 Summary

 Quantum Chemistry and Molecular Interactions A Introduction: Tools from Math and Physics A.1 Mathematics A.2 Classical physics I Atomic Structure
 1 Classical and Quantum Mechanics 1.1 Introduction to the Text 1.2 The Classical World 1.3 The Quantum World 1.4 OneElectron Atoms 1.5 Merging the Classical and Quantum Worlds
 2 The Schrodinger Equation 2.1 Mathematical Tools of Quantum Mechanics 2.2 Fundamental Examples
 3 OneElectron Atoms 3.1 Solving the OneElectron Atom Schrodinger Equation 3.2 The OneElectron Atom Orbital Wavefunctions 3.3 Electric Dipole Interactions 3.4 Magnetic Dipole Interactions
 4 ManyElectron Atoms 4.1 ManyElectron Spatial Wavefunctions 4.2 Approximate Solution to the Schrodinger Equation 4.3 Spin Wavefunctions and Symmetrization 4.4 Vector Model of the ManyElectron Atom 4.5 Periodicity of the Elements 4.6 Atomic Structure: The Key to Chemistry II Molecular Structure
 5 Chemical Bonds 5.1 The Molecular Hamiltonian 5.2 The Molecular Wavefunction 5.3 Covalent Bonds in Polyatomic Molecules 5.4 NonCovalent Bonds 5.5 Nuclear Magnetic Resonance Spectroscopy
 6 Molecular Symmetry 6.1 Group Theory 6.2 Symmetry Representations for Wavefunctions 6.3 Selection Rules 6.4 Selected Applications
 7 Electronic States of Molecules 7.1 Molecular Orbital Configurations 7.2 Electronic States 7.3 Computational Methods for Molecules 7.4 Energetic Processes
 8 Vibrational States of Molecules 8.1 The Vibrational Schrodinger Equation 8.2 Vibrational Energy Levels in Diatomics 8.3 Vibrations in Polyatomics 8.4 Spectroscopy of Vibrational States
 9 Rotational States of Molecules 9.1 Rotations in Diatomics 9.2 Rotations in Polyatomics 9.3 Spectroscopy of Rotational States III Molecular Interactions 10 Intermolecular Forces 10.1 Intermolecular Potential Energy 10.2 Molecular Collisions
 11 Nanoscale Chemical Structure 11.1 The Nano Scale 11.2 Clusters 11.3 Macromolecules
 12 The Structure of Liquids 12.1 The Qualitative Nature of Liquids 12.2 Weakly Bonded Pure Liquids 12.3 Solvation
 13 The Structure of Solids 13.1 Amorphous Solids, Polymers, and Crystals 13.2 Symmetry in Crystals 13.3 Bonding Mechanisms and Properties of Crystals 13.4 Wavefunctions and Energies of Solids.
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QD453.3 .C655 2013  Unknown 
7. Quantum chemistry [2014]
 Levine, Ira N., 1937
 Seventh edition.  Boston : Pearson, [2014]
 Description
 Book — xi, 700 pages : illustrations ; 26 cm
 Summary

 1. The Schrodinger Equation.
 2. The Particle in a Box.
 3. Operators.
 4. The Harmonic Oscillator.
 5. Angular Momentum.
 6. The Hydrogen Atom.
 7. Theorems of Quantum Mechanics.
 8. The Variation Method.
 9. Perturbation Theory.
 10. Electron Spin and the SpinStatistics Theorem.
 11. ManyElectron Atoms.
 12. Molecular Symmetry.
 13. Electronic Structure of Diatomic Molecules.
 14. Theorems of Molecular Quantum Mechanics.
 15. Molecular Electronic Structure.
 16. ElectronCorrelation Methods.
 17. Semiempirical and MolecularMechanics Treatments of Molecules. Appendix. Bibliography. Answers to Selected Problems. Index.
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QD462 .L48 2014  Unavailable Checked out  Overdue Request 
8. Quantum chemistry : a unified approach [2012]
 Cook, David B. (David Branston)
 2nd ed.  London : Imperial College Press ; Singapore ; Hackensack, NJ : Distributed by World Scientific Pub., c2012.
 Description
 Book — xvi, 313 p. : ill ; 24 cm.
 Summary

 How Science Deals with Complex Problems
 What We Know About Atoms and Molecules
 A Strategy for Electronic Structure
 The Pauli Principle and Orbitals
 A Model Polyatomic: Methane
 Lone Pairs of Electrons
 Organic Molecules with Multiple Bonds
 Molecular Symmetry
 Diatomics with Multiple Bonds
 Dative Bonds
 Delocalised Electronic Substructures: Aromaticity
 Organic and Inorganic Chemistry
 Further Down the Periodic Table
 Reconsidering Empirical Rules
 Mavericks and Other Lawbreakers
 The Transition Elements
 The Quantum Theory of Polymers and Solids
 Omissions and Conclusions.
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QD462 .C68 2012  Unknown 
9. Quantum chemistry & spectroscopy [2013]
 Engel, Thomas, 1942
 3rd ed.  Boston : Pearson, c2013.
 Description
 Book — xvii, 507 p. : col. ill. ; 29 cm.
 Summary

 1. From Classical to Quantum Mechanics
 2. The Schrodinger Equation
 3. The Quantum Mechanical Postulates
 4. Using Quantum Mechanics on Simple Systems
 5. The Particle in the Box and the Real World
 6. Commuting and Noncommuting Operators and the Surprising Consequences of Entanglement
 7. A Quantum Mechanical Model for the Vibration and Rotation of Molecules
 8. The Vibrational and Rotational Spectroscopy of Diatomic Molecules
 9. The Hydrogen Atom
 10. ManyElectron Atoms
 11. Quantum States for Many Electron Atoms and Atomic Spectroscopy
 12. The Chemical Bond in Diatomic Molecules
 13. Molecular Structure and Energy Levels for Polyatomic Molecules
 14. Electronic Spectroscopy
 15. Computational Chemistry
 16. Molecular Symmetry
 17. Nuclear Magnetic Resonance Spectroscopy.
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QD462 .E53 2013  Unknown 
 Boca Raton, FL : CRC Press, c2011.
 Description
 Book — xx, 282 p. : ill. ; 25 cm. + 1 CDROM (4 3/4 in.)
 Summary

 Quantum Theory of Equilibrium Molecular Structures, Wesley D. Allen and Attila G. Csaszar The Method of Least Squares, Jean Demaison Semiexperimental Equilibrium Structures: Computational Aspects, Juana Vazquez and John F. Stanton Spectroscopy of Polyatomic Molecules: Determination of the Rotational Constants, Agnes Perrin, Jean Demaison, JeanMarie Flaud, Walter J. Lafferty, and Kamil Sarka Determination of the Structural Parameters from the Inertial Moments, Heinz Dieter Rudolph and Jean Demaison Determining Equilibrium Structures and Potential Energy Functions for Diatomic Molecules, Robert J. Le Roy Other Spectroscopic Sources of Molecular Properties: Intermolecular Complexes as Examples, Anthony C. Legon and Jean Demaison Structures Averaged over Nuclear Motions, Attila G. Csaszar Appendix A: Bibliographies of Equilibrium Structures Appendix B: Sources for Fundamental Constants, Conversion Factors, and Atomic and Nuclear Masses Index.
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QD461 .E678 2011  Unknown 