Molecular Structure & Elementary Statistical Mechanics

Video Lectures

Displaying all 26 video lectures.
Lecture 1
Symmetry and Spectroscopy I
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Symmetry and Spectroscopy I
Recorded on January 7, 2013. Slides: 00:10- Physical Chemistry: Intro To Symmetry 11:28- Dipole Moment: E Field 13:04- Molecular Shape and Polarity 13:32- Dipole Moment: Examples 15:14- Symmetry Elements 17:09- Symmetry Operations: Rotations 19:07- Symmetry Operations: Reflections 20:37- Symmetry Operations: Inversion 22:23- Symmetry Operations: Improper Rotation 26:34- Chirality 27:46- Symmetry Operations: Translation 28:53- Group Theory: Introduction 34:12- Point Groups: Flow Chart 41:12- Example: CH2Cl2
Lecture 2
Symmetry and Spectroscopy II
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Symmetry and Spectroscopy II
Recorded on January 9, 2013. Index of Topics: 3:12 Example 1 9:13 Example 2: Benzene 12:19 Example 3 13:55 Example: Low symmetry 20:02 Matrix representations 20:04 Point Group: Flow Chart 20:06 Character Tables 30:44 Matrices 34:27 Matrix Multiplication 36:32 Matrices 36:46 Transformation Matrices 40:03 Transformations 41:23 Practice Problems 41:42 Rotation Matrix 44:07 Matrix Representation of Operations 45:36 Inverse of a Matrix Required attribution: Martin, Rachel. Molecular Structure & Statistical Mechanics 131B (UCI OpenCourseWare: University of California, Irvine), http://ocw.uci.edu/courses/chem_131b_molecular_structure_and... [Access date]. License: Creative Commons Attribution-ShareAlike 3.0 United States License. (http://creativecommons.org/licenses/by-sa/3.0/us/deed.en_US).
Lecture 3
Transformation Matrices
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Transformation Matrices
Recorded on January 11, 2013. Slides: 00:10- Transformation Matrices 02:44- Group Theory 06:27- Everything is About the Basis 13:06- Example: OCl2 19:59- Characters: C2v 26:30- Example: C2v 29:56- Reduction Formula 33:20- Reduction Formula Example 1: C3v 40:42- Reduction Formula Example 2: C3v 43:36- Bonding
Lecture 4
Group Theory Applications
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Group Theory Applications
Recorded on January 14, 2013. Slides: 00:07- Bonding 11:07- Reduce It 15:38- Which Orbitals Form the σ Bond? 20:44- Which Orbitals Can Form π-Bonds? 26:53- Out-Of-Plane (Continued) 28:57- Which Orbitals Can Form π-Bonds- Consider the In-Plane Set 31:13- In-Plane (Continued)
Lecture 5
Rotational Spectroscopy I
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Rotational Spectroscopy I
Recorded on January 16, 2013. Slides: 00:07- 5. Rotational Spectroscopy 00:55- Which Orbitals Can Form π Bonds? 03:55- Bonding Example: Homework 06:12- Symmetry Properties of Functions 08:33- H2 Molecular Orbitals 09:00- Vanishing Integrals 10:47- Vanishing Integrals, Examples 15:35- Dirac Notation 25:54- Big Picture: Spectroscopy 31:58- Spectroscopy 34:20- Born-Oppenheimer Approximation 38:21- Quantization of Rotation 45:39- Z-Component of Angular Momentum 48:58- Angular Momentum
Lecture 6
Rotational Spectroscopy II
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Rotational Spectroscopy II
Recorded on January 18, 2013. Slides: 00:08- 6. Rotational Spectroscopy 01:12- Big Picture: Spectroscopy 01:53- Angular Momentum 04:20- Commutators (Review) 05:17- Angular Momentum Operators 08:13- Spherical Harmonics 09:47- Spherical Harmonics, Slide 2 11:15- Practice Problems 13:25- Rotational Spectroscopy 18:42- Rotational Spectroscopy, Slide 2 22:32- Rotational Energy Levels 24:26- Rotational Energy Levels, Slide 2 26:00- Energies and Frequencies 28:37- Rotational Energy Levels, Slide 3 28:51- Rotational Energy Levels- HCl 31:55- Types of Rigid Rotors 34:38- Types of Rigid Rotors, Slide 3 36:28- Symmetric Rotor 38:40- Quantization 39:40= Degeneracy 40:29- Degeneracy, Slide 2 42:39- Interstellar Molecules 43:20- Rotational Spectra From Space 44:47- Radio Telescope (ARO)
Lecture 7
Rotational Spectroscopy III
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Rotational Spectroscopy III
Recorded on January 23, 2013. Slides: 00:10- Why is the Sky Blue? 05:24- Why is the Sky Blue? Functional Form 06:01- Why are Sunsets Red? 06:36- Why are Sunsets Red? Mie Scattering 10:47- Why is the (Twilight) Sky Blue? 11:30- Ozone Absorption Spectrum 13:11- Why is Water Blue? 14:00- Why is Water Blue? Absorption Spectrum 17:18- Wet Vs. Dry 20:47- Raman Spectroscopy 24:48- Energies and Frequencies (Again) 25:40- Polarizability 28:28- Rotational Raman Spectroscopy 32:24- Rotational Raman Spectroscopy, Slide 2 34:10- Rotational Raman Spectroscopy, Slide 3 35:12- Raman Spectroscopy (revisited) 36:04- Big Picture: Spectroscopy (revisited) 37:06- IR Spectrum of Water 38:55- IR and Raman Active Modes 40:42- Molecular Motion
Lecture 8
Molecular Motion
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Molecular Motion
UCI Chem 131B Molecular Structure & Statistical Mechanics (Winter 2013) Lec 08. Molecular Structure & Statistical Mechanics -- Molecular Motion. View the complete course: http://ocw.uci.edu/courses/chem_131b_molecular_structure_and... Instructor: Rachel Martin, Ph.D. License: Creative Commons BY-NC-SA Terms of Use: http://ocw.uci.edu/info. More courses at http://ocw.uci.edu Recorded on January 25, 2013. Slides: 00:08- Molecular Motion 22:15- Molecular Motion: Vibrational Modes 26:37- Methane Bonding For more information and access to courses, lectures, and teaching material, please visit the official UC Irvine OpenCourseWare website at: http://ocw.uci.edu
Lecture 9
Vibrations in Molecules
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Vibrations in Molecules
Recorded on January 28, 2013. Slides: 00:08-Methane-Vibrations 11:56- Vibrational Modes 13:35- IR Spectrum of Methane 14:17- Raman Spectrum of Methane 15:18- Harmonic Oscillator Energy Levels 18:24- Vibrational and Rotational Energy Levels 20:37- IR Spectrum of HCl 24:51- Bond Length of HCl 32:08- Bond Length of HCl- Spectrum in Wavenumbers 36:18- Force Constant of HCl 39:28- Force Constants 41:55- Anharmonic Potential
Lecture 10
Anharmonic Potential.
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Anharmonic Potential.
Recorded on January 30, 2013. Slides: 00:08- Anharmonic Potential 03:35- IR Selection Rules: Gross Selection 09:33- IR Selection Rules: Specific Selection 11:41- IR Selection Rules: Anharmonic Potential 12:02- IR Selection Rules, Slide 4 14:13- IR Selection Rules, Slide 5 16:59- IR Spectrum of NO 18:40- Raman Spectroscopy 21:26- Rotational Raman Spectroscopy 26:16- Rotational Raman Spectroscopy, Slide 2 26:56- Rotational Transition 29:20- Spectra of Styrene/Butadiene Rubber 32:50- 2,5-Dichloroacetophenone 34:02- Time-Resolved Spectroscopy 35:19- 2D IR 36:55- Summary
Lecture 11
First Midterm Exam Review.
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First Midterm Exam Review.
Recorded on February 4, 2013. Slides: 02:55- Short Answer Questions 09:20- Matrix Representations 19:39- Group Theory Applications 34:45- Vibrational Modes of a Molecule 40:30- Vibrational-Rotational Spectroscopy of Diatomic Molecules
Lecture 12
Electronic Spectroscopy
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Electronic Spectroscopy
Recorded on February 6, 2013. Slides: 00:08- Midterm Exam Review Completion 03:23- 11: Electronic Spectroscopy 03:34- Big Picture: Spectroscopy 04:37- Electronic Spectroscopy 05:45- What Happens to Excited States? 11:12- Copper (II) Sulfate (Hydrated) 11:41- Copper (II) Sulfate in Solution 13:48- Atomic Orbitals 14:05- D-Mental Complexes 15:27- Organic Chromophores 17:45- Absorption Spectroscopy 21:28- Structural Colors 23:32- Membrane Protein Sensors 24:52- G-Protein Coupled Receptors 26:06- Eye Anatomy 28:01- Rod Cells and Vision 28:38- Rhodopsin 29:35- Rhodopsin, Slide 2 29:56- Visual Perception 32:06- Visual Perception: Blue Birds are Ultraviolet Birds 35:39- Nuclear and Electronic Hamiltonians 37:39- I2 Energy Levels
Lecture 13
Electronic Spectroscopy II
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Electronic Spectroscopy II
Recorded on February 8, 2013. Slides: 00:08- Electronic Spectroscopy 00:48- Resonance Raman 03:38- Application: Azurin 03:54- Resonance Raman: Azurin 05:41- Fluorescent Bacteria 06:41- Fluorescence of Quantum Dots GFP- 2008 Nobel Prize in Chemistry 11:31- Fluorescence Microscopy 12:11- GFP Fluorophore 13:07- Fluorescence of GFP Variants 14:27- Jablonski Diagram 19:19- Fluorescence and Phosphorescence 20:47- Aufbau Rules 22:00- Term Symbols for Atoms 22:58- Term Symbols for Atoms, Distinguish Among Microstates 25:22- Term Symbols for Atoms, Z-Components 26:08- Term Symbols for Atoms, 1s^2 29:20- Term Symbols for Atoms, 1s(^2)2(s^2)2p(^2) 37:56- Find J (subscript) 39:53- Hund's Rule 41:19- Term Symbols for Linear Molecules
Lecture 14
Electronic Spectroscopy III
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Electronic Spectroscopy III
Recorded on February 11, 2013. Slides: 00:07- 13: Electronic Spectroscopy 00:28- Term Symbols for Linear Molecules 04:29- Alternative Empirical Notation 05:25- Electronic States: Example 06:48- Electronic Spectroscopy- Electrons are Moved Between Orbitals 08:46- Electronic Spectroscopy- Example of Oxygen 09:53- Electronic Spectroscopy: Transitions Occur Between Rovibrational States 14:11- Franck-Condon Principle 16:00- Franck-Condon Principle, Slide 2 16:39- Franck-Condon Principle, Slide 3 17:21- Franck-Condon Principle, Slide 4 20:02- Franck-Condon Principle, Slide 5 21:20- Franck-Condon Factors 24:29- Vanishing Integrals Redux 28:14- Vanishing Integrals Redux, Slide 2 34:02- Transition Dipole 36:32- Weakly Allowed Transitions 37:31- Weakly Allowed Transitions- Energy Level Diagram 38:22- I2 Energy Levels 41:28- I2 Spectrum 42:46- I2 Spectrum- Analysis
Lecture 15
Electronic Spectroscopy IV
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Electronic Spectroscopy IV
Recorded on February 13, 2013. Slides: 00:09- 14: Electronic Spectroscopy 01:42- Quiz 3 09:25- Diatomic Molecular Term Symbols 12:05- Diatomic Molecular Term Symbols: Examples 15:19- Franck-Condon Factors: Diagram 17:40- Dissociation Energies 20:57- Photoelectron Spectroscopy 23:06- Photoelectron Spectra 25:00- Photoelectron Spectrum of N2 27:38- X-Ray Crystallography 29:27- X-Ray Crystallography: Illustration 31:11- X-Ray Crystallography: Diffraction Patterns
Lecture 16
Fourier Transforms & Introduction to Nuclear Magnetic Resonance (NMR)
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Fourier Transforms & Introduction to Nuclear Magnetic Resonance (NMR)
Recorded on February 15, 2013. Slides: 00:48- 15: Fourier Transforms, NMR Intro 01:33- Fourier Series 05:49- Example: Square Wave 08:35- Fourier Transforms 11:59- Fourier Transforms, Slide 2 14:21- Fourier Transform Pairs 16:23- Fourier Transform Pairs, Slide 2 18:45- X-Ray Crystallography 21:07- X-Ray Crystallography, Slide 2 22:14- X-Ray Crystallography, Slide 3 23:07- Ion Channels 24:30- Ion Channels, Slide 2 25:12- Pulsed NMR 28:48- Free Induction Decay 30:34- Fourier Transforms 31:13- Free Induction Decay, Slide 2 32:31- 3 Peaks of the NMR signal 34:25- Stern-Gerlach Experiment 35:25- Stern-Gerlach Experiment: Classical 39:11- Stern-Gerlach Experiment: Results 39:50- Stern-Gerlach Experiment: Quantum 40:53- Electrons in a Magnetic Field 41:55- Electron Zeeman Effect 43:20- Electrons in a Magnetic Field: Gyromagnetic Ratio 45:31- Cyclotron 46:22- Electron Zeeman Effect 47:02- Nuclear Zeeman Effect
Lecture 17
Nuclear Magnetic Resonance II
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Nuclear Magnetic Resonance II
Recorded on February 20, 2013. Slides: 01:56- 16:NMR 02:54- Zeeman Effect 06:04- Energy Differences Between the Spin States 06:46- High Field Magnets for NMR/MRI 09:09- Nuclear Zeeman Effect 11:23- Nuclear Spin Hamiltonian 13:28- Relative Sizes of Interactions 19:01- Pulsed NMR 21:49- Protons Absorbing in a Predictable Region 23:39- Chemical Shift Defines Peak Placement on Spectrum 25:31-Chemical Shift 27:06- NMR: Identification of Molecules 28:21- Chemical Shift Anisotropy (Only in Solids!) 30:51- Chemical Shift Tensors 32:27- H NMR Spectroscopy is a Powerful Tool For Structure Elucidation 35:00- H NMR Spectroscopy: Number of Signals 36:33- More Examples 37:13- H NMR Spectroscopy: Intensity of Signals 37:58- Spin Quantum Number 40:20- Relative Sizes of Interactions 40:29- Angular Momentum Operators 41:40- Eignenstates and Eigenvalues 43:35- Zeeman Basis
Lecture 18
Eigenstates & Eigenvalues
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Eigenstates & Eigenvalues
Recorded on February 22, 2013. Slides: 00:30- Eigenstates and Eigenvalues 01:19- Matrix Representations 05:21- Zeeman Basis 07:57- Eigenstates and Eigenvalues, Slide 2 11:31- Raising and Lowering Operators 15:09- Eigenstates and Eigenvalues, Slide 3 17:01- Superpositions 21:16- Spin Operators and Eigenstates 22:20- Rotation Operators 23:46- Pulsed NMR 29:05- NMR Probes 31:09- Nutation Curves (Solenoid) 35:57- RF Homogeneity 36:41- Spin-Lattice Relaxation (T1) 41:09- What Causes Longitudinal Relaxation? 42:02- What Causes Longitudinal Relaxation, Slide 2 44:10- Inversion Recovery (T1) 47:11- Relaxation along the Z-Axis
Lecture 19
Spin Rotations T1 & T2
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Spin Rotations T1 & T2
Recorded on February 25, 2013. Slides: 03:49- Inversion Recovery (T1) 04:59- Relaxation Along the Z-Axis 05:50- Moving Tube 05:58- Relaxation Along the Z-Axis (revisited) 07:02- Moving Tube (revisited) 08:24- Moving Tube, Slide 2 09:20- Spin-Spin Relaxation (T2) 12:29- Spin Echo (T2) 14:04- H NMR Spectroscopy: Spin-Spin Splitting 16:40- Rules for Splitting Patterns 20:23- Splitting is Generally Not Observed Between Protons Separated by More Than Three σ Bonds 21:18- The n+1 Rule (For "Simple" Compounds) 23:49- J-Coupling: Product Basis 26:20- J-Coupling: Hamiltonian 29:09- J-Coupling: Product Basis, Slide 2 32:13- J-Coupling: Equivalent Spins 34:21- H NMR-- Spin-Spin Splitting: An Example 34:31- J-Coupling: Equivalent Spins (revisited) 35:11- H NMR-- Spin-Spin Splitting: An Example (revisited) 36:26- Standard Coupling Values (J, in Hz) 37:21- Sample Spectrum 38:28- More Complex Splitting Patterns: Nitrobenzene 39:14- The Difference Between a Quartet and a Doublet of Doublets 39:56- Another Example of Doublets of Doublets 40:17- A Closer Look at the Splitting Pattern 40:42- NMR Spectrum Example 42:24- General 2D Pulse Sequence 44:53- ^(13)C-^(15)N Correlation of Arginine 45:56- H-N HSQC
Lecture 20
NMR Applications/ Review
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NMR Applications/ Review
Recorded on February 27, 2013. Slides: 06:48- 19: NMR Applications/Review 10:26- Going Through the Process 15:59- Sidechain Correlations- TOCSY 17:13- G18V Backbone Walk- H-N-CACB 17:54- Mistic Structure 18:17- Mistic Structure, Slide 2 18:59- Relative Sizes of Interactions 19:40- Quadrupolar Nuclei- Periodic Table 20:56- Quadrupolar Nuclei 21:23- Quadupolar Moment Interacts with the EFT Present at the Nucleus 24:31- Quadrpolar Hamiltonian 25:19- Spin 1 27:34- Bicelles: Membrane Mimetics 29:39- ^(2)H Spectra 31:59- Multiple Lipid Phases 35:56- NMR Spectroscopy Worksheet
Lecture 21
Second Midterm Examination Review
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Second Midterm Examination Review
Recorded on March 4, 2013. Slides: 01:33- IR Spectrum of Carbon Monoxide 04:39- Is Carbon Monoxide a Perfect Rigid Rotor? 07:14- How Would the Raman Spectrum of CO Look Different? 10:36- Electronic Spectroscopy 15:17- Franck-Condon Factors 19:34- Term Symbols and Electronic Transitions 25:05- NMR Spectroscopy 33:21- NMR Spectroscopy, Continued
Lecture 22
The Boltzmann Distribution
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The Boltzmann Distribution
Recorded on March 6, 2013. Slides: 03:27- 20: The Boltzmann Distribution 05:23- NMR Population Differences 06:14- What is the Population Difference? 10:34- Statistical Mechanics 12:38- Statistical Mechanics: Ensemble 15:32- Statistical Mechanics: Ensemble, Slide 2 17:14- Conformational Ensemble 18:09- Conformational Ensemble, Slide 2 18:47- Statistical Mechanics 21:08- Statistical Mechanics, Slide 2 24:26- Weights of Configurations 27:47- Weights of Configurations, Slide 2 30:07- Dominant Configuration 33:59- Dominant Configuration, Slide 2 34:58- Dominant Configuration, Slide 3 38:18- Dominant Configuration, Slide 4 39:48- Dominant Configuration, Slide 5 41:17- Relative Populations 43:05- Rotational Spectrum of HCl
Lecture 23
Partition Functions I
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Partition Functions I
Recorded on March 8, 2013. Slides: 02:11- 21: Partition Functions 02:51- Rotational Spectrum of HCl 03:53- Molecular Partition Function 07:17- Rotational Spectrum of HCl, Slide 2 16:05- Partition Function and Temperature 22:25- 2-Level System Partition Function 27:09- Contributions to the Partition Function 31:12- Particle in a Box Partition Function 32:36- Particle in a Box Partition Function, Slide 2 35:20- Particle in a Box Partition Function, Slide 3 38:12- Harmonic Oscillator Partition Function 43:08- Partition Function Example 1
Lecture 24
Partition Functions II
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Partition Functions II
Recorded on March 12, 2013. Slides: 01:49- 22: Partition Functions 01:59- Quiz 02:18- Rotational Partition Function 03:45- Rotational Partition Functions 05:42- Rotational Partition Functions, Slide 2 08:13- Rotational Temperature 12:51- Symmetric Linear Molecule 17:01- Rotational Raman for H2 23:30- Strokes Lines for H2 29:11- The Mean Energy 31:30- Partition Function and Temperature 32:42- The Canonical Ensemble 36:38- The Canonical Ensemble, Slide 2
Lecture 25
Partition Functions
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Partition Functions
Recorded on March 13, 2013. Slides: 01:02- Simulation 06:32- 23: Statistical Mechanics Examples 06:38- Langrange Multipliers: Motivation 09:24- Math Review: Langrange Multipliers 11:22- Langrange Multipliers: Example 1 13:38- Langrange Multipliers: Example 2 16:30- Multiple Constraints 18:50- Partition Function Example 1, Speed Distribution 20:00- Partition Function Example 1, Maxwell-Boltzmann Distribution of Particle Velocities 21:32- Partition Function Example 1, Simplifying Further 22:43- Partition Function Example 1, The Mean- Square Velocity Define the Width of the Distribution 26:33- Partition Function Example 1, Ideal Gas 27:06- Partition Function Example 1, Temperature Dependence of Velocity Distribution 27:42- Partition Function Example 2, Curie's law of Paramagnetism 32:40- Partition Function Example 2, Calculate the Average Magnetization as a Function of T 34:52- Partition Function Example 2, Using the Taylor Series Expansion 38:36- Curie's Law 39:17- Partition Function Example 3, Consider the Microstates 42:19- Partition Function Example 3, Assume the Beads Have an Attractive Force
Lecture 26
Final Exam Review
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Final Exam Review
Recorded on March 16, 2013. Slides: 04:08- Final Exam Review 04:15- The Canonical Ensemble 05:17- The Canonical Ensemble, Slide 2 08:40- Point Groups: Flow Chart 09:34- Example: OCl2 11:27- Group Theory- Molecular Motion 13:08- Group Theory- Molecular Motion, Slide 2 15:03- Group Theory- Molecular Motion, Slide 3 16:05- Big Picture: Spectroscopy 17:13- Raman Spectroscopy 17:48- Vibration and Rotational Energy Levels 18:37- IR Spectrum of HCl 18:56- Bond Length of HCl 19:43- Vibrational Spectroscopy: Use the Spectrum to Estimate the Force Constant 20:51- Vibrational Spectroscopy: Why is There No Peak in the Center of These Spectra? 22:32- Vibrational Spectroscopy: Summary of Example 23:52- Degeneracy 24:52- Vibrational Raman Spectroscopy 24:58- Term Symbols for Atoms 25:57- Hund's Rule 26:33- Term Symbols for Linear Molecules 30:48- Selection Rules 33:41- Electronic Spectroscopy 34:54- Nuclear Zeeman Effect 26:30- Spin Quantum Number 37:06- Zeeman Basis 38:48- Raising and Lowering Operators 40:17- Eigenstates and Eigenvalues 40:35- ^(1)H NMR Spectroscopy is a Powerful tool for Structure Elucidation 41:54- J-Coupling: Product Basis 42:15- NMR Spectra 42:59- Statistical Mechanics 43:48- Relative Populations 44:13- Molecular Partition Function 45:00- 2-Level System Partition Function