000			27022nam a22002534aa4500
001			UTEA
005			20240913183906.0
006			g||||gr||||||01 nz
007			ta
008			240216b pe ||||| |||| 00| 0 spa d
020			_a 9780935702996
040			_aUTEA
041			_aspa
082			_a541.3 _bM1733p 1997
100			_a McQuarrie, Donald A ; Simon,John D
245			_aPhysical chemistry : a molecular approach _h[Impreso]
250			_a21ava edición
260			_aSausalito (California) _bUniversity Science Books _c1997
300			_a1360 páginas _c18 x 26 cm
505			_aChapter 1. The Dawn of the Quantum Theory 1-1. Blackbody Radiation Could Not Be Explained by Classical Physics 1-2. Planck Used a Quantum Hypothesis to Derive the Blackbody Radiation Law 1-3. Einstein Explained the Photoelectric Effect with a Quantum Hypothesis 1-4. The Hydrogen Atomic Spectrum Consists of Several Series of Lines 1-5. The Rydberg Formula Accounts for All the Lines in the Hydrogen Atomic Spectrum 1-6. Louis de Broglie Postulated That Matter Has Wavelike Properties 1-7. de Broglie Waves Are Observed Experimentally 1-8. The Bohr Theory of the Hydrogen Atom Can Be Used to Derive the Rydberg Formula 1-9. The Heisenberg Uncertainty Principle States That the Position and the Momentum of a Particle Cannot be Specified Simultaneously with Unlimited Precision Problems MathChapter A / Complex Numbers Chapter 2. The Classical Wave Equation 2-1. The One-Dimensional Wave Equation Describes the Motion of a Vibrating String 2-2. The Wave Equation Can Be Solved by the Method of Separation of Variables 2-3. Some Differential Equations Have Oscillatory Solutions 2-4. The General Solution to the Wave Equation Is a Superposition of Normal Modes 2-5. A Vibrating Membrane Is Described by a Two- Dimensional Wave Equation Problems MathChapter B / Probability and Statistics Chapter 3. The Schrodinger Equation and a Particle In a Box 3-1. The Schrodinger Equation Is the Equation for Finding the Wave Function of a Particle 3-2. Classical-Mechanical Quantities Are Represented by Linear Operators in Quantum Mechanics 3-3. The Schrodinger Equation Can be Formulated as an Eigenvalue Problem 3-4. Wave Functions Have a Probabilistic Interpretation 3-5. The Energy of a Particle in a Box Is Quantized 3-6. Wave Functions Must Be Normalized 3-7. The Average Momentum of a Particle in a Box is Zero 3-8. The Uncertainty Principle Says That sigmapsigmax>h/2 3-9. The Problem of a Particle in a Three-Dimensional Box is a Simple Extension of the One-Dimensional Case Problems MathChapter C / Vectors Chapter 4. Some Postulates and General Principles of Quantum Mechanics 4-1. The State of a System Is Completely Specified by its Wave Function 4-2. Quantum-Mechanical Operators Represent Classical-Mechanical Variables 4-3. Observable Quantities Must Be Eigenvalues of Quantum Mechanical Operators 4-4. The Time Dependence of Wave Functions Is Governed by the Time-Dependent Schrodinger Equation 4-5. The Eigenfunctions of Quantum Mechanical Operators Are Orthogonal 4-6. The Physical Quantities Corresponding to Operators That Commute Can Be Measured Simultaneously to Any Precision Problems MathChapter D / Spherical Coordinates Chapter 5. The Harmonic Oscillator and the Rigid Rotator : Two Spectroscopic Models 5-1. A Harmonic Oscillator Obeys Hooke’s Law 5-2. The Equation for a Harmonic-Oscillator Model of a Diatomic Molecule Contains the Reduced Mass of the Molecule 5-3. The Harmonic-Oscillator Approximation Results from the Expansion of an Internuclear Potential Around its Minimum 5-4. The Energy Levels of a Quantum-Mechanical Harmonic Oscillator Are Ev = hw(v + 1/2) with v= 0,1,2… 5-5. The Harmonic Oscillator Accounts for the Infrared Spectrum of a Diatomic Molecule 5-6. The Harmonic-Oscillator Wave Functions Involve Hermite Polynomials 5-7. Hermite Polynomials Are Either Even or Odd Functions 5-8. The Energy Levels of a Rigid Rotator Are E = h<fontsize=2></fontsize=2> 2J(J+1)/2I 5-9. The Rigid Rotator Is a Model for a Rotating Diatomic Molecule Problems Chapter 6. The Hydrogen Atom 6-1. The Schrodinger Equation for the Hydrogen Atom Can Be Solved Exactly 6-2. The Wave Functions of a Rigid Rotator Are Called Spherical Harmonics 6-3. The Precise Values of the Three Components of Angular Momentum Cannot Be Measured Simultaneously 6-4. Hydrogen Atomic Orbitals Depend upon Three Quantum Numbers 6-5. s Orbitals Are Spherically Symmetric 6-6. There Are Three p Orbitals for Each Value of the Principle Quantum Number, n>= 2 6-7. The Schrodinger Equation for the Helium Atom Cannot Be Solved Exactly Problems MathChapter E / Determinants Chapter 7. Approximation Methods 7-1. The Variational Method Provides an Upper Bound to the Ground-State Energy of a System 7-2. A Trial Function That Depends Linearly on the Variational Parameters Leads to a Secular Determinant 7-3. Trial Functions Can Be Linear Combinations of Functions That Also Contain Variational Parameters 7-4. Perturbation Theory Expresses the Solution to One Problem in Terms of Another Problem Solved Previously Problems Chapter 8. Multielectron Atoms 8-1. Atomic and Molecular Calculations Are Expressed in Atomic Units 8-2. Both Pertubation Theory and the Variational Method Can Yield Excellent Results for Helium 8-3. Hartree-Fock Equations Are Solved by the Self-Consistent Field Method 8-4. An Electron Has An Intrinsic Spin Angular Momentum 8-5. Wave Functions Must Be Antisymmetric in the Interchange of Any Two Electrons 8-6. Antisymmetric Wave Functions Can Be Represented by Slater Determinants 8-7. Hartree-Fock Calculations Give Good Agreement with Experimental Data 8-8. A Term Symbol Gives a Detailed Description of an Electron Configuration 8-9. The Allowed Values of J are L+S, L+S-1, …..,|L-S| 8-10. Hund’s Rules Are Used to Determine the Term Symbol of the Ground Electronic State 8-11. Atomic Term Symbols Are Used to Describe Atomic Spectra Problems Chapter 9. The Chemical Bond : Diatomic Molecules 9-1. The Born-Oppenheimer Approximation Simplifies the Schrodinger Equation for Molecules 9-2. H2+ Is the Prototypical Species of Molecular-Orbital Theory 9-3. The Overlap Integral Is a Quantitative Measure of the Overlap of Atomic Orbitals Situated on Different Atoms 9-4. The Stability of a Chemical Bond Is a Quantum-Mechanical Effect 9-5. The Simplest Molecular Orbital Treatment of H2+ Yields a Bonding Orbital and an Antibonding Orbital 9-6. A Simple Molecular-Orbital Treatment of H2 Places Both Electrons in a Bonding Orbital 9-7. Molecular Orbitals Can Be Ordered According to Their Energies 9-8. Molecular-Orbital Theory Predicts that a Stable Diatomic Helium Molecule Does Not Exist 9-9. Electrons Are Placed into Moleular Orbitals in Accord with the Pauli Exclusion Principle 9-10. Molecular-Orbital Theory Correctly Predicts that Oxygen Molecules Are Paramagnetic 9-11. Photoelectron Spectra Support the Existence of Molecular Orbitals 9-12. Molecular-Orbital Theory Also Applies to Heteronuclear Diatomic Molecules 9-13. An SCF-LCAO-MO Wave Function Is a Molecular Orbital Formed from a Linear Combination of Atomic Orbitals and Whose Coefficients Are Determined Self-Consistently 9-14. Electronic States of Molecules Are Designated by Molecular Term Symbols 9-15. Molecular Term Symbols Designate the Symmetry Properties of Molecular Wave Functions 9-16. Most Molecules Have Excited Electronic States Problems Chapter 10. Bonding in Polyatomic Molecules 10-1. Hybrid Orbitals Account for Molecular Shape 10-2. Different Hybrid Orbitals Are Used for the Bonding Electrons and the Lone Pair Electrons in Water 10-3. Why is BeH2 Linear and H2O Bent? 10-4. Photoelectron Spectroscopy Can Be Used to Study Molecular Orbitals 10-5. Conjugated Hydrocarbons and Aromatic Hydrocarbons Can Be Treated by a Pi-Electron Approximation 10-6. Butadiene is Stabilized by a Delocalization Energy Problems Chapter 11. Computational Quantum Chemistry 11-1. Gaussian Basis Sets Are Often Used in Modern Computational Chemistry 11-2. Extended Basis Sets Account Accurately for the Size and Shape of Molecular Charge Distributions 11-3. Asterisks in the Designation of a Basis Set Denote Orbital Polarization Terms 11-4. The Ground-State Energy of H2 can be Calculated Essentially Exactly 11-5. Gaussian 94 Calculations Provide Accurate Information About Molecules Problems MathChapter F / Matrices Chapter 12. Group Theory : The Exploitation of Symmetry 12-1. The Exploitation of the Symmetry of a Molecule Can Be Used to Significantly Simplify Numerical Calculations 12-2. The Symmetry of Molecules Can Be Described by a Set of Symmetry Elements 12-3. The Symmetry Operations of a Molecule Form a Group 12-4. Symmetry Operations Can Be Represented by Matrices 12-5. The C3V Point Group Has a Two-Dimenstional Irreducible Representation 12-6. The Most Important Summary of the Properties of a Point Group Is Its Character Table 12-7. Several Mathematical Relations Involve the Characters of Irreducible Representations 12-8. We Use Symmetry Arguments to Prediect Which Elements in a Secular Determinant Equal Zero 12-9. Generating Operators Are Used to Find Linear Combinations of Atomic Orbitals That Are Bases for Irreducible Representations Problems Chapter 13. Molecular Spectroscopy 13-1. Different Regions of the Electromagnetic Spectrum Are Used to Investigate Different Molecular Processes 13-2. Rotational Transitions Accompany Vibrational Transitions 13-3. Vibration-Rotation Interaction Accounts for the Unequal Spacing of the Lines in the P and R Branches of a Vibration-Rotation Spectrum 13-4. The Lines in a Pure Rotational Spectrum Are Not Equally Spaced 13-5. Overtones Are Observed in Vibrational Spectra 13-6. Electronic Spectra Contain Electronic, Vibrational, and Rotational Information 13-7. The Franck-Condon Principle Predicts the Relative Intensities of Vibronic Transitions 13-8. The Rotational Spectrum of a Polyatomic Molecule Depends Upon the Principal Moments of Inertia of the Molecule 13-9. The Vibrations of Polyatomic Molecules Are Represented by Normal Coordinates 13-10. Normal Coordinates Belong to Irreducible Representation of Molecular Point Groups 13-11. Selection Rules Are Derived from Time-Dependent Perturbation Theory 13-12. The Selection Rule in the Rigid Rotator Approximation Is Delta J = (plus or minus) 1 13-13. The Harmonic-Oscillator Selection Rule Is Delta v = (plus or minus) 1 13-14. Group Theory Is Used to Determine the Infrared Activity of Normal Coordinate Vibrations Problems Chapter 14. Nuclear Magnetic Resonance Spectroscopy 14-1. Nuclei Have Intrinsic Spin Angular Momenta 14-2. Magnetic Moments Interact with Magnetic Fields 14-3. Proton NMR Spectrometers Operate at Frequencies Between 60 MHz and 750 MHz 14-4. The Magnetic Field Acting upon Nuclei in Molecules Is Shielded 14-5. Chemical Shifts Depend upon the Chemical Environment of the Nucleus 14-6. Spin-Spin Coupling Can Lead to Multiplets in NMR Spectra 14-7. Spin-Spin Coupling Between Chemically Equivalent Protons Is Not Observed 14-8. The n+1 Rule Applies Only to First-Order Spectra 14-9. Second-Order Spectra Can Be Calculated Exactly Using the Variational Method Problems Chapter 15. Lasers, Laser Spectroscopy, and Photochemistry 15-1. Electronically Excited Molecules Can Relax by a Number of Processes 15-2. The Dynamics of Spectroscopic Transitions Between the Electronic States of Atoms Can Be Modeled by Rate Equations 15-3. A Two-Level System Cannot Achieve a Population Inversion 15-4. Population Inversion Can Be Achieved in a Three-Level System 15-5. What is Inside a Laser? 15-6. The Helium-Neon Laser is an Electrical-Discharge Pumped, Continuous-Wave, Gas-Phase Laser 15-7. High-Resolution Laser Spectroscopy Can Resolve Absorption Lines that Cannot be Distinguished by Conventional Spectrometers 15-8. Pulsed Lasers Can by Used to Measure the Dynamics of Photochemical Processes Problems MathChapter G / Numerical Methods Chapter 16. The Properties of Gases 16-1. All Gases Behave Ideally If They Are Sufficiently Dilute 16-2. The van der Waals Equation and the Redlich-Kwong Equation Are Examples of Two-Parameter Equations of State 16-3. A Cubic Equation of State Can Describe Both the Gaseous and Liquid States 16-4. The van der Waals Equation and the Redlich-Kwong Equation Obey the Law of Corresponding States 16-5. The Second Virial Coefficient Can Be Used to Determine Intermolecular Potentials 16-6. London Dispersion Forces Are Often the Largest Contributer to the r-6 Term in the Lennard-Jones Potential 16-7. The van der Waals Constants Can Be Written in Terms of Molecular Parameters Problems Chapter 17. The Boltzmann Factor And Partition Functions 17-1. The Boltzmann Factor Is One of the Most Important Quantities in the Physical Sciences 17-2. The Probability That a System in an Ensemble Is in the State j with Energy Ej (N,V) Is Proportional to e-Ej(N,V)/kBT 17-3. We Postulate That the Average Ensemble Energy Is Equal to the Observed Energy of a System 17-4. The Heat Capacity at Constant Volume Is the Temperature Derivative of the Average Energy 17-5. We Can Express the Pressure in Terms of a Partition Function 17-6. The Partition Function of a System of Independent, Distinguishable Molecules Is the Product of Molecular Partition Functions 17-7. The Partition Function of a System of Independent, Indistinguishable Atoms or Molecules Can Usually Be Written as [q(V,T)]N/N! 17-8. A Molecular Partition Function Can Be Decomposed into Partition Functions for Each Degree of Freedom Problems MathChapter I / Series and Limits Chapter 18. Partition Functions And Ideal Gases 18-1. The Translational Partition Function of a Monatomic Ideal Gas is (2pi mkBT /h2) 3/2V 18-2. Most Atoms Are in the Ground Electronic State at Room Temperature 18-3. The Energy of a Diatomic Molecule Can Be Approximated as a Sum of Separate Terms 18-4. Most Molecules Are in the Ground Vibrational State at Room Temperature 18-5. Most Molecules Are in Excited Rotational States at Ordinary Temperatures 18-6. Rotational Partition Functions Contain a Symmetry Number 18-7. The Vibrational Partition Function of a Polyatomic Molecule Is a Product of Harmonic Oscillator Partition Functions for Each Normal Coordinate 18-8. The Form of the Rotational Partition Function of a Polyatomic Molecule Depends Upon the Shape of the Molecule 18-9. Calculated Molar Heat Capacities Are in Very Good Agreement with Experimental Data Problems Chapter 19. The First Law of Thermodynamics 19-1. A Common Type of Work is Pressure-Volume Work 19-2. Work and Heat Are Not State Functions, but Energy is a State Function 19-3. The First Law of Thermodynamics Says the Energy Is a State Function 19-4. An Adiabatic Process Is a Process in Which No Energy as Heat Is Transferred 19-5. The Temperature of a Gas Decreases in a Reversible Adiabatic Expansion 19-6. Work and Heat Have a Simple Molecular Interpretation 19-7. The Enthalpy Change Is Equal to the Energy Transferred as Heat in a Constant-Pressure Process Involving Only P-V Work 19-8. Heat Capacity Is a Path Function 19-9. Relative Enthalpies Can Be Determined from Heat Capacity Data and Heats of Transition 19-10. Enthalpy Changes for Chemical Equations Are Additive 19-11. Heats of Reactions Can Be Calculated from Tabulated Heats of Formation 19-12. The Temperature Dependence of deltarH is Given in Terms of the Heat Capacities of the Reactants and Products Problems MathChapter J / The Binomial Distribution and Stirling’s Approximation Chapter 20. Entropy and The Second Law of Thermodynamics 20-1. The Change of Energy Alone Is Not Sufficient to Determine the Direction of a Spontaneous Process 20-2. Nonequilibrium Isolated Systems Evolve in a Direction That Increases Their Disorder 20-3. Unlike qrev, Entropy Is a State Function 20-4. The Second Law of Thermodynamics States That the Entropy of an Isolated System Increases as a Result of a Spontaneous Process 20-5. The Most Famous Equation of Statistical Thermodynamics is S = kB ln W 20-6. We Must Always Devise a Reversible Process to Calculate Entropy Changes 20-7. Thermodynamics Gives Us Insight into the Conversion of Heat into Work 20-8. Entropy Can Be Expressed in Terms of a Partition Function 20-9. The Molecular Formula S = kB in W is Analogous to the Thermodynamic Formula dS = deltaqrev/T Problems Chapter 21. Entropy And The Third Law of Thermodynamics 21-1. Entropy Increases With Increasing Temperature 21-2. The Third Law of Thermodynamics Says That the Entropy of a Perfect Crystal is Zero at 0 K 21-3. deltatrsS = deltatrsH / Ttrs at a Phase Transition 21-4. The Third Law of Thermodynamics Asserts That CP -> 0 as T -> 0 21-5. Practical Absolute Entropies Can Be Determined Calorimetrically 21-6. Practical Absolute Entropies of Gases Can Be Calculated from Partition Functions 21-7. The Values of Standard Entropies Depend Upon Molecular Mass and Molecular Structure 21-8. The Spectroscopic Entropies of a Few Substances Do Not Agree with the Calorimetric Entropies 21-9. Standard Entropies Can Be Used to Calculate Entropy Changes of Chemical Reactions Problems Chapter 22. Helmholtz and Gibbs Energies 22-1. The Sign of the Helmholtz Energy Change Determines the Direction of a Spontaneous Process in a System at Constant Volume and Temperature 22-2. The Gibbs Energy Determines the Direction of a Spontaneous Process for a System at Constant Pressure and Temperature 22-3. Maxwell Relations Provide Several Useful Thermodynamic Formulas 22-4. The Enthalpy of an Ideal Gas Is Independent of Pressure 22-5. The Various Thermodynamic Functions Have Natural Independent Variables 22-6. The Standard State for a Gas at Any Temperature Is the Hypothetical Ideal Gas at One Bar 22-7. The Gibbs-Helmholtz Equation Describes the Temperature Dependance of the Gibbs Energy 22-8. Fugacity Is a Measure of the Nonideality of a Gas Problems Chapter 23. Phase Equilibria 23-1. A Phase Diagram Summarizes the Solid-Liquid-Gas Behavior of a Substance 23-2. The Gibbs Energy of a Substance Has a Close Connection to Its Phase Diagram 23-3. The Chemical Potentials of a Pure Substance in Two Phases in Equilibrium Are Equal 23-4. The Clausius-Clapeyron Equation Gives the Vapor Pressure of a Substance As a Function of Temperature 23-5. Chemical Potential Can be Evaluated From a Partition Function Problems Chapter 24. Solutions I: Liquid-Liquid Solutions 24-1. Partial Molar Quantities Are Important Thermodynamic Properites of Solutions 24-2. The Gibbs-Duhem Equation Relates the Change in the Chemical Potential of One Component of a Solution to the Change in the Chemical Potential of the Other 24-3. The Chemical Potential of Each Component Has the Same Value in Each Phase in Which the Component Appears 24-4. The Components of an Ideal Solution Obey Raoult’s Law for All Concentrations 24-5. Most Solutions are Not Ideal 24-6. The Gibbs-Duhem Equation Relats the Vapor Pressures of the Two Components of a Volatile Binary Solution 24-7. The Central Thermodynamic Quantity for Nonideal Solutions is the Activity 24-8. Activities Must Be Calculated with Respect to Standard States 24-9. We Can Calculate the Gibbs Energy of Mixing of Binary Solutions in Terms of the Activity Coefficient Problems Chapter 25. Solutions II: Solid-Liquid Solutions 25-1. We Use a Raoult’s Law Standard State for the Solvent and a Henry’s Law Standard State for the Solute for Solutionsof Solids Dissolved in Liquids 25-2. The Activity of a Nonvolatile Solute Can Be Obtained from the Vapor Pressure of the Solvent 25-3. Colligative Properties Are Solution Properties That Depend Only Upon the Number Density of Solute Particles 25-4. Osmotic Pressure Can Be Used to Determine the Molecular Masses of Polymers 25-5. Solutions of Electrolytes Are Nonideal at Relatively Low Concentrations 25-6. The Debye-Hukel Theory Gives an Exact Expression of 1n gamma(plus or minus) For Very Dilute Solutions 25-7. The Mean Spherical Approximation Is an Extension of the Debye-Huckel Theory to Higher Concentrations Problems Chapter 26. Chemical Equilibrium 26-1. Chemical Equilibrium Results When the Gibbs Energy Is a Minimun with Respect to the Extent of Reaction 26-2. An Equilibrium Constant Is a Function of Temperature Only 26-3. Standard Gibbs Energies of Formation Can Be Used to Calculate Equilibrium Constants 26-4. A Plot of the Gibbs Energy of a Reaction Mixture Against the Extent of Reaction Is a Minimum at Equilibrium 26-5. The Ratio of the Reaction Quotient to the Equilibrium Constant Determines the Direction in Which a Reaction Will Proceed 26-6. The Sign of deltar G And Not That of deltar Go Determines the Direction of Reaction Spontaneity 26-7. The Variation of an Equilibrium Constant with Temperature Is Given by the Van’t Hoff Equation 26-8. We Can Calculate Equilibrium Constants in Terms of Partition Functions 26-9. Molecular Partition Functions and Related Thermodynamic Data Are Extensively Tabulated 26-10. Equilibrium Constants for Real Gases Are Expressed in Terms of Partial Fugacities 26-11. Thermodynamic Equilibrium Constants Are Expressed in Terms of Activities 26-12. The Use of Activities Makes a Significant Difference in Solubility Calculations Involving Ionic Species Problems Chapter 27. The Kinetic Theory of Gases 27-1. The Average Translational Kinetic Energy of the Molecules in a Gas Is Directly Proportional to the Kelvin Temperature 27-2. The Distribution of the Components of Molecular Speeds Are Described by a Gaussian Distribution 27-3. The Distribution of Molecular Speeds Is Given by the Maxwell-Boltzmann Distribution 27-4. The Frequency of Collisions that a Gas Makes with a Wall Is Proportional to its Number Density and to the Average Molecular Speed 27-5. The Maxwell-Boltzmann Distribution Has Been Verified Experimentally 27-6. The Mean Free Path Is the Average Distance a Molecule Travels Between Collisions 27-7. The Rate of a Gas-Phase Chemical Reaction Depends Upon the Rate of Collisions in Which the Relative Kinetic Energy Exceeds Some Critical Value Problems Chapter 28. Chemical Kinetics I : Rate Laws 28-1. The Time Dependence of a Chemical Reaction Is Described by a Rate Law 28-2. Rate Laws Must Be Determined Experimentally 28-3. First-Order Reactions Show an Exponential Decay of Reactant Concentration with Time 28-4. The Rate Laws for Different Reaction Orders Predict Different Behaviors for the Time-Dependent Reactant Concentration 28-5. Reactions Can Also Be Reversible 28-6. The Rate Constants of a Reversible Reaction Can Be Determined Using Relaxation Techniques 28-7. Rate Constants Are Usually Strongly Temperature Dependent 28-8. Transition-State Theory Can Be Used to Estimate Reaction Rate Constants Problems Chapter 29. Chemical Kinetics II : Reaction Mechanisms 29-1. A Mechanism is a Sequence of Single-Step Chemical Reactions called Elementary Reactions 29-2. The Principle of Detailed Balance States that when a Complex Reaction is at Equilibrium, the Rate of the Forward Process is Equal to the Rate of the Reverse Process for Each and Every Step of the Reaction Mechanism 29-3. When Are Consecutive and Single-Step Reactions Distinguishable? 29-4. The Steady-State Approximation Simplifies Rate Expressions yy Assuming that d[I]/dt=0, where I is a Reaction Intermediate 29-5. The Rate Law for a Complex Reaction Does Not Imply a Unique Mechanism 29-6. The Lindemann Mechanism Explains How Unimolecular Reactions Occur 29-7. Some Reaction Mechanisms Involve Chain Reactions 29-8. A Catalyst Affects the Mechanism and Activation Energy of a Chemical Reaction 29-9. The Michaelis-Menten Mechanism Is a Reaction Mechanism for Enzyme Catalysis Problems Chapter 30. Gas-Phase Reaction Dynamics 30-1. The Rate of Bimolecular Gas-Phase Reaction Can Be Calculated Using Hard-Sphere Collision Theory and an Energy-Dependent Reaction Cross Section 30-2. A Reaction Cross Section Depends Upon the Impact Parameter 30-3. The Rate Constant for a Gas-Phase Chemical Reaction May Depend on the Orientations of the Colliding Molecules 30-4. The Internal Energy of the Reactants Can Affect the Cross Section of a Reaction 30-5. A Reactive Collision Can Be Described in a Center-of-Mass Coordinate System 30-6. Reactive Collisions Can be Studied Using Crossed Molecular Beam Machines 30-7. The Reaction F(g) +D2 (g) => DF(g) + D(g) Can Produce Vibrationally Excited DF(g) Molecules 30-8. The Velocity and Angular Distribution of the Products of a Reactive Collision Provide a Molecular Picture of the Chemical Reaction 30-9. Not All Gas-Phase Chemical Reactions Are Rebound Reactions 30-10. The Potential-Energy Surface for the Reaction F(g) + D2(g) => DF(g) + D(g) Can Be Calculated Using Quantum Mechanics Problems Chapter 31. Solids and Surface Chemistry 31-1. The Unit Cell Is the Fundamental Building Block of a Crystal 31-2. The Orientation of a Lattice Plane Is Described by its Miller Indices 31-3. The Spacing Between Lattice Planes Can Be Determined from X-Ray Diffraction Measurements 31-4. The Total Scattering Intensity Is Related to the Periodic Structure of the Electron Density in the Crystal 31-5. The Structure Factor and the Electron Density Are Related by a Fourier Transform 31-6. A Gas Molecule Can Physisorb or Chemisorb to a Solid Surface 31-7. Isotherms Are Plots of Surface Coverage as a Function of Gas Pressure at Constant Temperature 31-8. The Langmuir Isotherm Can Be Used to Derive Rate Laws for Surface-Catalyzed Gas-Phase Reactions 31-9. The Structure of a Surface is Different from that of a Bulk Solid 31-10. The Reaction Between H2(g) and N 2(g) to Make NH3 (g) Can Be Surface Catalyzed Problems
520			_aAs the first modern physical chemistry textbook to cover quantum mechanics before thermodynamics and kinetics, this book provides a contemporary approach to the study of physical chemistry. By beginning with quantum chemistry, students will learn the fundamental principles upon which all modern physical chemistry is built. The text includes a special set of “MathChapters” to review and summarize the mathematical tools required to master the material. Thermodynamics is simultaneously taught from a bulk and microscopic viewpoint that enables the student to understand how bulk properties of materials are related to the properties of individual constituent molecules. This new text includes a variety of modern research topics in physical chemistry as well as hundreds of worked problems and examples. Translated into French, Italian, Japanese, Spanish and Polish.
650			_a Chemistry Inorganic Chemistry Physical Chemistry _955408
942			_2ddc _cBK _e2024-09-13 _zLizbeth Cañari Quispe
999			_c16750 _d16750