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**Focus 1 Foundations**Topic 1 Matter

Topic 2 Energy

Topic 3 Waves

Mathematical background 1:Differentiation and integration

**Focus 2 The principles of quantum mechanics**

Topic 4 The emergence of quantum theory

Topic 5 The wavefunction

Topic 6 Extracting information from the wavefunction

Topic 7 Predicting the outcome of experiments

Topic 8 The uncertainty principle

Mathematical background 2: Differential equations

**Focus 3 The quantum mechanics of motion**Topic 9 Translational motion in one dimension

Topic 10 Tunnelling

Topic 11 Translational motion in several dimensions

Topic 12 Vibrational motion

Topic 13 Rotational motion in two dimensions

Topic 14 Rotational motion in three dimensions

Mathematical background 3: Complex numbers

**Focus 4 Approximation methods **Topic 15 Time-independent perturbation theory

Topic 16 Transitions

**Focus 5 Atomic structure and spectra **Topic 17 Hydrogenic atoms

Topic 18 Hydrogenic atomic orbitals

Topic 19 Many-electron atoms

Topic 20 Periodicity

Topic 21 Atomic spectroscopy

Mathematical background 4: Vectors

**Focus 6 Molecular structure **Topic 22 Valence-bond theory

Topic 23 The principles of molecular orbital theory

Topic 24 Homonuclear diatomic molecules

Topic 25 Heteronuclear diatomic molecules

Topic 26 Polyatomic molecules

Topic 27 Self-consistent fields

Topic 28 Semiempirical methods

Topic 29 Ab initio methods

Topic 30 Density functional theory

Mathematical background 5: Matrices

**Focus 7 Molecular symmetry**Topic 31 The analysis of shape

Topic 32 Group theory

Topic 33 Applications of symmetry

**Focus 8 Interactions**Topic 34 Electric properties of molecules

Topic 35 Interactions between molecules

Topic 36 Real gases

Topic 37 Crystal structure

Topic 38 Bonding in solids

Topic 39 Electrical, optical, and magnetic properties of solids

Mathematical background 6: Fourier transforms

**Focus 9 Molecular spectroscopy**Topic 40 General features

Topic 41 Molecular rotation

Topic 42 Rotational spectroscopy

Topic 43 Vibrational spectroscopy: Diatomic molecules

Topic 44 Vibrational spectroscopy: Polyatomic molecules

Topic 45 Electronic spectroscopy

Topic 46 Decay of excited states

**Focus 10 Magnetic resonance**Topic 47 General principles

Topic 48 Features of NMR spectra

Topic 49 Pulse techniques in NMR

Topic 50 Electron paramagnetic resonance

**Focus 11 Statistical thermodynamics**Topic 51 The Boltzmann distribution

Topic 52 Molecular partition functions

Topic 53 Molecular energies

Topic 54 The canonical ensemble

Mathematical background 7: Probability theory

**Focus 12 The First Law of thermodynamics**Topic 55 The First Law

Topic 56 Enthalpy

Topic 57 Thermochemistry

Topic 58 The internal energy

Mathematical background 8: Multivariate calculus

**Focus 13 The Second and Third Laws of thermodynamics**Topic 59 The Second Law

Topic 60 The statistical entropy

Topic 61 The thermodynamic entropy

Topic 62 Entropy changes for specific processes

Topic 63 The Third Law of thermodynamics

Topic 64 Spontaneous processes

Topic 65 Standard Gibbs energies

Topic 66 Combining the First and Second Laws

**Focus 14 Physical equilibria**Topic 67 Phase diagrams: One-component systems

Topic 68: Phase diagrams: Two-component systems

Topic 69 Physical transformations

Topic 70 Ideal mixtures

Topic 71 Colligative properties

Topic 72 Real solutions

**Focus 15 Chemical equilibria**Topic 73 Chemical transformation

Topic 74 The statistical description of equilibrium

Topic 75 The response of equilibria to the conditions

Topic 76 Electrochemical cells

Topic 77 Standard electrode potentials

**Focus 16 Molecular motion**Topic 78 The kinetic theory of gases

Topic 79 Transport properties of gases

Topic 80 Motion in liquids

Topic 81 Diffusion

**Focus 17 Chemical kinetics**Topic 82 Reaction rates

Topic 83 Integrated rate laws

Topic 84 Reactions approaching equilibrium

Topic 85 The Arrhenius equation

Topic 86 Reaction mechanisms

**Focus 18 Reaction dynamics**

Topic 87 Collision theory

Topic 88 Diffusion-controlled reactions

Topic 89 Transition-state theory

Topic 90 The dynamics of molecular collisions

**Focus 19 Processes in fluid systems **Topic 91 Unimolecular reactions

Topic 92 Enzymes

Topic 93 Photochemistry

Topic 94 Electron transfer in homogeneous systems

**Focus 20 Processes on solid surfaces**Topic 95 Solid surfaces

Topic 96 Adsorption and desorption

Topic 97 Heterogeneous catalysis

Resource section

Common integrals

Quantum numbers and operators

Units

Data

Character tables

Selected answers to numerical exercises

Index

Library of Congress subject headings for this publication:

Quantum chemistry -- Textbooks.

Chemistry, Physical and theoretical.

Chemistry, Physical and theoretical. -- fast -- (OCoLC)fst00853521

Quantum chemistry. -- fast -- (OCoLC)fst01085086