Preface
1
Intro to R
1.1
R in RStudio Cloud
1.2
Vectors & Numerics
1.3
Functions
1.4
Reading and Writing Data Files
1.5
Control Structures: For Loop
1.6
Packages
1.7
Questions and Projects
2
Data and Statistics
2.1
Comparing two sets of data: the t test
2.2
Questions and Projects
3
Beer’s Law and Linear Regresion
3.1
Linear Regression
3.2
Residual Plots
3.3
Questions and Projects
4
Solving Equilibrium
4.1
Systemaic Treatment of Equilibrium
4.2
pH of hydrofluoric acid
4.3
Carbon Dioxide and Acidification
4.4
Visualizing root finding
4.5
Questions and Projects
5
Titrations
5.1
The approimate View
5.1.1
Initial H
5.1.2
Buffer Region
5.1.3
Endpoint
5.2
An exact solution
5.3
root finding: pH as function of volume
5.4
Using sapply with uniroot to solve for titration curve
5.5
Effect of ionic strength / activity coefficients
5.5.1
Ionic Srengths and activity
5.6
Questions and Projects
6
Binding Curves
6.1
Myoglobin Bindng
6.2
L not in Excess
6.3
Acid/Base Binding Curve
6.4
Exploration of diprotic titrations
6.4.1
Preparation of Experimental Data
6.5
Questions and Projects
7
Electrochemstry
7.1
The Nernst Equation
8
pH dependance of reduction potential
8.1
Pourbaix Diagrams
8.2
Questions and Projects
9
Fourier Transform and Spectroscopy
9.1
Audio Analogy
9.2
Questions
9.3
The Fourier Transform
9.4
Questions: Orthogonality
9.5
FT and Signal Averaging
9.6
Questions and Projects
10
R Kinetic Analysis
10.1
Understanding Kinetics
10.2
Optimization Methods: First Order Reaction
10.3
Using ODE to solve chemical kinetic systems
10.4
Solving Differential Equations with desolv package
10.5
enzyme kinetics
10.5.1
pre-eq assumption
10.5.2
steady state
10.5.3
optimization with dubplex
11
Reports in R Markdown
R for Quantitative Chemistry
R for Quantitative Chemistry
David Gosser Jr.
Preface