PIPER: Resources for Teaching Physical Chemistry
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Physical Chemistry & Biochemistry Coding Assignments
A collection of tutorials and coding assignments for teaching physical chemistry and biochemistry.
Dynamics of a Free Particle Using Classical Computing and Quantum Computing: Introducing Quantum Computing to Chemistry Students
We present a computational chemistry project that demonstrates the quantum dynamics of a free particle, using both classical and quantum computing algorithms. This project…
FTIR-SIS: A Fourier Transform Infrared Scientific Instrument Simulator
We developed a gas-phase Fourier Transform InfraRed Scientific Instrument Simulator (FTIR-SIS, https://ftir.rastonlab.org/) in response to the unavailability of one during…
Integrating Data Science and Machine Learning to Chemistry Education: Predicting Classification and Boiling Point of Compounds
Artificial intelligence (AI) and data science (DS) are receiving a lot of attention in various fields. In the educational field, the need for education utilizing AI and DS…
A Simple and Fast Method for Investigating the Liquid–Vapor Equilibrium of the Water-Acetic Acid System
The activity proposed in this study aims to investigate the equilibrium between the liquid and vapor phases in a mixture of water and acetic acid, both of which are volatile…
NMR in the Advanced Inorganic Lab. II. Introduction to Quadrupolar Coupling: What to Do When the “n + 1” Rule and Pascal’s Triangle Fail
As an introduction to quadrupolar effects in NMR spectroscopy, students use low field (
1
H, 60 MHz), benchtop
13
C NMR spectroscopy to contrast the spin–spin coupling…
Measurement of the Joule–Thomson Coefficient of Nitrogen and Carbon Dioxide to Demonstrate LabVIEW, Electronic Data Acquisition, and Experimental Design
A novel approach to exposing students to electronic data acquisition, LabVIEW programming, and experimental design is described herein. This is achieved through the…
Analysis of Si, Cu, and Their Oxides by X-ray Photoelectron Spectroscopy
An integrated laboratory experience in X-ray photoelectron spectroscopy (XPS) is designed for undergraduate and graduate students in chemistry, materials science, and other…
Factors associated with chemistry faculty members’ cooperative adoption of evidence-based instructional practices: results from a national survey
Despite institutional reform efforts to increase use of evidence-based instructional practices (EBIPs) in undergraduate chemistry and STEM courses, didactic lecture remains…
Quantized Grading: An ab Initio Approach to Using Specifications Grading in Physical Chemistry
A one-semester physical chemistry course was fully redesigned with a modular structure to incorporate a specifications grading system. The motivation for the redesign is…
VibHam: A Classroom Tool for Predicting the Rovibrational Spectra of Diatomic Molecule Beyond the Harmonic Oscillator Approximation
VibHam is an adaptable and user-friendly program designed for advanced diatomic molecule spectroscopy beyond the harmonic oscillator approximation. It employs numerical…
Lowering Activation Barriers to Success in Physical Chemistry (LABSIP): A Community Project
A group of physical chemistry instructors convened to form LABSIP, or Lowering Activation Barriers to Success in PChem. The overarching goal of the LABSIP Collaborative is…
Visualization of the Uncertainty Principle from the Particle-Centric View: Pre-Wave Function and Post-Wave Function
The Uncertainty Principle is usually discussed twice in a Quantum Chemistry course. The first discussion is a “pre-wave function” explanation that occurs before students…
Quantum Particle-in-a-Sandbox: A Video Game That Explores the Time-Dependent Wave Function for Any Arbitrary One-Dimensional Potential
We present a tool, one that is both a stand-alone web-based video game and a Python package, designed for students to explore a particle’s wave function on one-dimensional…
Guided-Inquiry Experiments for Physical Chemistry: The POGIL-PCL Model
The POGIL-PCL project implements the principles of process-oriented, guided-inquiry learning (POGIL) in order to improve student learning in the physical chemistry…
Density Functional Calculations on H
\(_{2}\)
Using 1s Slater Type Orbitals
As a widely applied theory that has found success across many fields, density functional theory (DFT) is largely taught. Typically, the most effective way to convey DFT…
Measuring the Surface Area of Carbon Black Using BET Isotherms: An Experiment in Physical Chemistry
We describe an experiment in which students use research-grade instrumentation to collect gas adsorption data in triplicate in a single 3 h laboratory period. The experiment…
Solving secular equations for molecular motors within the Hückel approximation using Python
Hückel theory is an empirical quantum chemical method that allows students to solve the secular equations using pen-and-paper. Usually simple hydrocarbons are considered for…
Physical chemistry students’ learning profiles and their relation to study-related burnout and perceptions of peer and self-assessment
We explored chemical engineering students’ approaches to learning, study-related burnout, and perceptions of peer and self-assessment in a challenging physical chemistry…
Physics Openlab: DIY Laboratory for Science Enthusiasts
10 Guiding principles for learning in the laboratory
Laboratory work in chemistry has been extensively researched in the last decade but the gap between research and practice is still broad. This Perspective shares 10 guiding…
A design-based research approach to improving pedagogy in the teaching laboratory
The laboratory is a complex environment where the three levels of the chemistry triplet coincide. As the laboratory environment places a large demand on the working memory…
Large Language Model (LLM) and Generative Pre-trained Transformer (GPT) References for Teachers
Some references related to Large Language Model (LLM) and Generative Pre-trained Transformer (GPT) resources such as ChatGPT, and their use in the chemistry classroom.…
How much is just maths?
Investigating problem solving in chemical kinetics at the interface of chemistry and mathematics through the development of an extended mathematical modelling cycle
Problem solving in chemical kinetics poses substantial challenges for university students since it often involves significant use of mathematics as a tool and language, with…
What factors affect the dissolution enthalpies of ionic compounds?
Soluble ionic compounds produce ions when they dissociate in water, and this process may absorb or release heat. Solution calorimetry empowers students to measure the…
How Should Apples be Prepared for a Fruit Salad?
Catecholase, also known as catechol oxidase or tyrosinase, is an enzyme found in many plants, animals, and fungi. The general function of catecholase is to accelerate the…
Evaluating the level of inquiry in postsecondary instructional laboratory experiments: results of a national survey
A national survey on chemistry instructional laboratories was administered to faculty members at four-year postsecondary institutions in the United States for the purpose of…
Interactive Learning of Diffusion and the Diffusion Equation with Mathematical Software
The process of diffusion is intimately related to random molecular displacement and is central to many problems in chemistry. Here, we provide an intuitive derivation of the…
Rediscovering the particle in a box: Machine learning regression analysis for hypothesis generation in physical chemistry lab
Given the growing prevalence of computational methods in chemistry, it is essential that undergraduate curricula introduce students to these approaches. One such area is the…
Analysis of Large Data Sets in a Physical Chemistry Laboratory NMR Experiment Using Python
We describe an update to an experiment demonstrating low-field NMR spectroscopy in the undergraduate physical chemistry laboratory. A Python-based data processing and…
A Quantum Chemistry Concept Inventory for Physical Chemistry Classes
A 14-item, multiple-choice diagnostic assessment tool, the quantum chemistry concept inventory or QCCI, is presented. Items were developed based on published student…
Teacher Intentions vs Student Perception of Feedback on Laboratory Reports
In pharmaceutical laboratory teaching and learning, students’ written reports allow them to document their understanding. Therefore, feedback on these reports is crucial for…
The ACS Exams Institute Undergraduate Chemistry Anchoring Concepts Content Map IV: Physical Chemistry
The ACS Examinations Institute has been developing Anchoring Concepts Content Maps to provide an organizational template for the four-year undergraduate chemistry…
Chemistry, Mathematics, Physics: 100 Years of Teaching Physical Chemistry
Physical chemistry may be a quintessential example of a multidisciplinary subfield for the study of chemistry. Although the extent to which mathematics and physics play a…
Spectroscopy Data for Undergraduate Teaching
This paper describes a data set of IR, MS, H-1 NMR, C-13 NMR, DEPT, and 2D NMR spectra designed for undergraduate teaching. The data files are provided as MestReNova…
Using generative artificial intelligence in chemistry education research: prioritizing ethical use and accessibility
Generative artificial intelligence (GenAI) has the potential to drastically alter how we teach and conduct research in chemistry education. There have been many reports on…
ChatGPT Needs a Chemistry Tutor Too
Artificial intelligence (AI) technology has the potential to revolutionize the education sector. This study sought to determine the efficacy of ChatGPT to correctly answer…
Teaching Physical Chemistry Blog
Rowley offers courses in physical and computational chemistry, and writes about teaching on his blog Teaching Physical Chemistry. Sample blog post titles include
Enhancing Students’ Understanding of the Structures and Aromaticities of Cyclobutadiene and Cyclooctatetraene through a Computational Chemistry Exercise
This review describes a computational chemistry exercise aimed at enhancing the understanding of upper-division undergraduates in organic chemistry and physical chemistry…
Development of a Framework to Capture Abstraction in Physical Chemistry Problem Solving
Productive problem solving, concept construction, and sense making occur through the core process of abstraction. Although the capacity for domain-general abstraction is…
Thermodynamics Demos Playlist
Thermodynamics demonstrations originally prepared for the Coursera MOOC: Statistical Molecular Thermodynamics. Topics include
CHE30324 - Physical Chemistry for Chemical Engineers
This one semester course demonstrates the molecular bases of chemical engineering, making the connection between basic physical chemistry concepts (Boltzmann statistics…
Beyond the Syllabus: Using the First Day of Class in Physical Chemistry as an Introduction to the Development of Macroscopic, Molecular-Level, and Mathematical Models
The initial interaction among student, instructor, and content on the first day of class is critical in setting the stage for the remainder of the semester. While many…
Rethinking Undergraduate Physical Chemistry Curricula
A summary of fundamental changes made to the undergraduate physical chemistry curriculum in the Chemistry Department at Gustavus Adolphus College (beginning in the 2013-2014…
A Primer on Lattice Planes, Crystal Facets, and Nanoparticle Shape Control
An exciting recent development in chemistry has been the ability to control nanoparticle crystal morphology or shape. Nanoparticles of different shapes present different…
Computational Investigation of Isotopic Labeling: A Pandemic Inspired Activity
A cornerstone activity in undergraduate organic laboratories revolves around students running instrumental analysis on their products and interpreting their spectra. They…
Development of a week-long mathematics intervention for incoming chemistry graduate students
A student-led mathematics bootcamp has been designed and implemented to help foster community building, improve confidence in mathematical skills, and provide mathematical…
String-Based Method for Deriving Russell−Saunders Terms
In this paper, we propose a novel method for deriving Russell-Saunders terms of complex atomic systems with an arbitrary number of equivalent electrons in orbitals with a…
Generative AI in Education and Research: Opportunities, Concerns, and Solutions
The integration of AI in education has sparked a paradigm shift in teaching and learning, presenting both unparalleled opportunities and complex challenges. This paper…
PChem Course 361A: Thermodynamics, Statistical Mechanics, Kinetics
Course materials for CHEM 361A at the California State University, Fullerton (CSUF). CHEM361A is a flipped, semester-long physical chemistry course which covers…
PChem Course 361B: Quantum Mechanics
This is the playlist of lecture videos for CHEM 361B at the California State University, Fullerton (CSUF). CHEM361B is a flipped, semester-long physical chemistry course…
What Is the Structure of a Polymer in Solution?
We have developed a guided-inquiry laboratory exercise in which students perform viscosity measurements to infer the structure of poly(vinyl alcohol) (PVA) in aqueous…
Quantum Chemistry and Thermodynamics/Statistical Mechanics Course Materials
These course materials were designed by Rob Berger for flipped-classroom implementations of undergraduate physical chemistry courses at Western Washington University.
Introduction to Biomolecular Visualization
These two activities provide similar introductions to biomolecular visualization using the Protein Data Bank (PDB, https://www.rcsb.org) and the VMD molecular visualization…
LABSIP: Lowering Activation Barriers to Success in Physical Chemistry
LABSIP (Lowering Access Barriers to Success in Physical Chemistry) is a collaborative project led by eleven physical chemistry instructors and funded initially by Research…
Physical Chemistry Supplement from ACS Committee on Professional Training
The ACS Committee on Professional Training (CPT) establishes guidelines for the approval of bachelor degree programs in chemistry. The requirements for program approval and…
Nationwide Survey of the Undergraduate Physical Chemistry Course
A nationwide survey of the undergraduate physical chemistry course was conducted to investigate the depth and breadth of content that is covered, how content is delivered…
Derivation of Morse Potential Function
The Morse potential is widely used in chemistry to describe interatomic interactions. However, there is no explicit derivation for this empirical potential from physically…
Loopholed Scripts: A New Inquiry Approach for the Undergraduate Laboratory
This study’s general theme revolves around practical work in chemical education, and its scope is the employment of a novel inquiry strategy combined with a new openness…
Revisiting the Clausius/Clapeyron Equation and the Cause of Linearity
In general, for an organic compound a plot of the log vapor pressure versus inverse temperature is linear over a wide temperature range. This however can lead to a point of…
The Necessity of Entropy: the Macroscopic Argument, the Microscopic Response, and Some Practical Consequences
Students often find thermodynamics baffling. This should not be surprising because it took many years for some of the best scientific minds to work it out. Nor should that…
A Small Program to Extend the Conjugated Dyes Particle in a Box Experiment
The UV–vis absorption of cyanine dyes is a common experiment in many physical chemistry teaching laboratories. As part of the analysis, students are often asked to…
What makes an electron a valence electron?
Students identify and count valence electrons in their first chemistry courses. Experimental data, such as ionization energies, supports the concept of valence electrons…
Quantum mechanics: Polar spectra
Students learn about the greenhouse effect by examining a “forbidden” rovibrational band in the infrared emission spectra of Earth’s atmosphere, recorded from the surface at…
Opening the Density-Functional Theory Black Box
Density-Functional Theory (DFT) is indubitably the most popular and among the most successful approaches for approximately solving the many-electron Schrödinger equation.…
Estimating Quantum Dot Size with Pulsed Field Gradient NMR
Pulsed field gradient nuclear magnetic resonance (NMR) is used to estimate the size of quantum dots (QDs) produced in a simple, fast, small-scale synthesis. This…
From Integrated Rate Laws to Integrating Rate Laws: Computation as a Conceptual Catalyst
When learning chemistry, students must learn to extract chemical information from mathematical expressions. However, chemistry students’ exposure to mathematics often comes…
The Challenges and Value of Undergraduate Oral Exams in the Physical Chemistry Classroom: A Useful Tool in the Assessment Toolbox
The COVID-19 pandemic illuminated challenges with assessment, especially in online environments that threaten academic integrity. In the wake of the pandemic, faculty in…
Making-it-rain
A repository of Jupyter notebook scripts for running Molecular Dynamics (MD) simulations using OpenMM engine and AMBER and CHARMM force fields files on Google Colab. This…
Development and Implementation of a Two-Level Inquiry- and Project-Based Modular Approach to Teaching a Second-Semester Physical Chemistry Laboratory Course
Over the past 20 years, significant effort has been devoted to advancing the modular approach to teaching chemistry laboratory courses. The development and implementation of…
Introduction to Quantum Mechanics
These lecture notes incorporate interactive numerical computing visualization, and other media alongside the traditional lecture material. This integrated approach allows…
Thermodynamics: Sea ice melt
Students learn about thermodynamics topics through calculation of the amount of heat required to melt Arctic sea ice. They start by watching an online animation of changing…
Physical Chemistry in Context: Using Quantum Mechanics to Understand the Greenhouse Effect
The concepts taught in an undergraduate physical chemistry course are directly related to the molecular processes governing climate change, yet the connections between…
An Investigation of the Temperature Dependence of a Monomer−Dimer Equilibrium Using UV−Vis and 1H NMR Spectroscopies
A laboratory experiment in which 1H NMR and UV−vis spectroscopies are applied to probe the temperature dependence of a monomer−dimer equilibrium involving a…
Practical Computational Chemistry Course for a Comprehensive Understanding of Organic, Inorganic, and Physical Chemistry: From Molecular Interactions to Chemical Reactions
Abstract: In all fields of chemistry, it has become essential to use quantum chemical calculations and machine learning for explaining and predicting chemical phenomena.…
Interactive Python Notebooks for Physical Chemistry
These interactive exercises employ the Python programming language to explore a variety of chemical problems related to kinetics, the Maxwell–Boltzmann distribution…
Applying Density Functional Theory to Common Organic Mechanisms: A Computational Exercise
A computational experiment investigating common organic chemistry mechanisms has been developed and implemented in a junior/senior-level physical chemistry laboratory course…
What feedstock produces the best biodiesel fuel?
Students synthesize (optional) biodiesel from various feedstocks, consider the fatty acid composition of biodiesel based on the feedstock, and relate fatty acid methyl ester…
High-Resolution Vibration–Rotation Spectrum of CO₂
High resolution CO
2
IR absorption spectra at 330K and 360K acquired with a mid-infrared lead-salt diode laser and InSb detector.
HITRAN
HITRAN is an acronym for high-resolution transmission molecular absorption database. HITRAN is a compilation of spectroscopic parameters that a variety of computer codes use…
Statistical Mechanics for Chemistry and Biology
This website hosts jupyter notebooks containing lectures notes and computational content for the “Chem 563 Statistical Mechanics” course, taught at the Department of…
Encouraging Student Engagement by Using a POGIL Framework for a Gas-Phase IR Physical Chemistry Laboratory Experiment
A version of the classic rotationally resolved infrared (IR) spectrum of a diatomic molecule experiment has been developed using the POGIL framework to more fully engage…
High-Performance Computational Chemistry in Undergraduate Physical Chemistry: Exercises in Homonuclear Diatomic Molecules
Computational chemistry exercises that are designed to be incorporated into an undergraduate physical chemistry course. This activity teaches computational chemistry as it…
What does the emission spectrum of the hydrogen atom reveal about its energy levels?
This experiment reformulates a well-known experiment in the physical chemistry laboratory, hydrogen atom emission spectroscopy, into a guided inquiry experiment. The…
Chem Compute
The Chem Compute website allows students to easily access state-of-the-art computational software for free. Our hope is that this will enable faculty to incorporate…
echem: A notebook exploration of quantum chemistry from laptop to HPC
The eChem project features an e-book published as a web page (https://bit.ly/e-chem), collecting a repository of Jupyter notebooks developed for the dual purpose of…
Effect of Methyl Halides on the Luminol Sonochemiluminescence Reaction: An Experimental Approach to Introduce Sonochemistry to Undergraduate Students
The rate of the sonochemiluminescence reaction of luminol in alkaline medium can be increased in the presence of carbon tetrachloride, chloroform, and bromoform. The…
How is the melting point of a molecular compound affected by its structure?
Students predict how various factors affect the melting point, and make connections to enthalpy and entropy of fusion.
Students Thinking Like Physical Chemists Using an Inquiry-Based NMR Experiment
A revised version of a traditional physical chemistry laboratory experiment has been developed to enhance student discussion in the laboratory and to improve students’…
Foregrounding the code: Computational chemistry instructional activities using a highly readable fluid simulation code
Motivated by the need for instructional activities that provide hands-on experience with computer code, a pair of activities were created around a free lightweight (runs on…
MoleCVue
The MoleCVUE consortium is an association of faculty at Primarily Undergraduate Institutions (PUIs) who share the common purpose expressed by our name: Molecular Computation…
Working toward a Paperless Undergraduate Physical Chemistry Teaching Laboratory
The use of electronic formats for obtaining, recording, analyzing, and disseminating data is becoming ubiquitous in classrooms, teaching laboratories, research laboratories…
Computational Chemistry (CHEM 4021/8021) Cramer
Spring Semester 2014 Course Summary: Modern theoretical methods used in study of molecular structure, bonding, and reactivity. Concepts and practical applications.…
KinSim: A Research-Grade, User-Friendly, Visual Kinetics Simulator for Chemical-Kinetics and Environmental-Chemistry Teaching
KinSim is a research-grade, interactive, user-friendly, open-source, and visual software for kinetics modeling of environmental chemistry and other applications. Students…
Ultrafast Laser Pulse Generation by Mode Locking: Matlab-based Demonstrations
Ultrafast laser spectroscopy is a valuable and increasingly accessible technique for studies of rapid chemical reactions. Critical to ultrafast spectroscopy is the concept…
Chemical Thermodynamics (supplement to Shepherd, et al)
A LibreText Open Educational Resource to accompany the POGIL thermodynamics activities in the book Thermodynamics, Statistical Mechanics & Kinetics: A Guided Inquiry.
Best Practice DFT Protocols for Basic Molecular Computational Chemistry
Nowadays, many chemical investigations can be supported theoretically by routine molecular structure calculations, conformer ensembles, reaction energies, barrier heights…
Anesthesia as a Theme for Context-Based Learning in a Physical Chemistry Short Course
Of the three main subdivisions in chemistry, physical chemistry often presents a challenge when delivered to those not majoring in chemistry or its cognate disciplines. This…
Orbital Explorer and BingOrbital
An online suite of tools that enables inquiry-based active-learning activities to develop students’ representational competence about atomic orbitals. Orbital Explorer is a…
Ensembler: A python package for teaching molecular simulations
Ensembler is a python package that allows fast and easy access to one and two-dimensional model systems simulations. It enables method development using small test systems…
Teaching undergraduate physical chemistry lab with kinetic analysis of COVID-19 in the United States
A physical chemistry lab for undergraduate students described in this report is about applying kinetic models to analyze the spread of COVID-19 in the United States and…
Multivariable Model Fitting as Applied to Air, a Physical Chemistry Experiment
Students in an upper-level physical chemistry course utilized an open-sourced statistical software package to construct models fitted to experimental pressure–volume data.…
Raman Spectroscopy, Group Theory, and Computational Chemistry: A Physical Chemistry Laboratory Experiment on para-Difluorobenzene
An experiment for the undergraduate physical chemistry laboratory is described in which the Raman spectrum of liquid para-difluorobenzene is recorded and assigned. A density…
An Undergraduate Chemistry Lab Exploring Computational Cost and Accuracy: Methane Combustion Energy
Over the past half century, computational chemistry has evolved from a niche field to a ubiquitous pillar of modern chemical research. Driven by the increased demand for…
HCl and DCl IR absorption spectra
PDF, jcamp jdx, and csv files of peak-labeled, high resolution (<0.17 cm
\(^{-1}\)
) IR absorption spectra of HCl and DCl. Spectra were collected on a Nicolet Nexus 670 FR-IR…
Mathematical Methods for Molecular Science
Forward: It is widely acknowledged that the traditional calculus sequence required of most molecular science majors, consisting of a year of differential and integral…
Google Colab and Virtual Simulations: Practical e-Learning Tools to Support the Teaching of Thermodynamics and to Introduce Coding to Students
Various studies have reported the versatility and great scope of programming tools in all areas of knowledge. Coding is generally of paramount importance to chemistry…
Multiphase Kinetic Multilayer Model Interfaces for Simulating Surface and Bulk Chemistry for Environmental and Atmospheric Chemistry Teaching
This paper presents MATLAB user interfaces for two multiphase kinetic models: the kinetic double-layer model of aerosol surface chemistry and gas–particle interactions…
The Devil in the Details: What Everybody Should Know When Running DFT Calculations
Density functional theory (DFT) has rapidly became the method of choice for the calculation of the electronic structure of atoms and molecules in both the teaching and the…
Falstad Teaching Applets
These are some educational applets to help visualize various concepts in math, physics, [chemistry,] and engineering. They were originally written in Java, but they’ve…
Introduction to Machine Learning for chemists: An undergraduate course using Python notebooks for visualization, data processing, data analysis, and data modeling
Machine Learning, a subdomain of Artificial intelligence, is a pervasive technology that would mold how chemists interact with data. Therefore, it is a relevant skill to…
Analysis of the Learning-Centeredness of Physical Chemistry Syllabi
Abstract: Students’ negative perceptions of physical chemistry courses are well-known and are likely impacting their learning and performance in this upper-division course…
Development of an interdisciplinary conceptual conservation of energy theme for use in undergraduate physics, chemistry, and biology courses
An ongoing need exists for the creation of interdisciplinary working groups in the sciences and development of pedagogical approaches to content themes that tie together…
Machine learning for functional group identification in vibrational spectroscopy: A pedagogical lab for undergraduate chemistry students
Abstract: Techniques from the branch of artificial intelligence known as machine learning (ML) have been applied to a wide range of problems in chemistry. Nonetheless, there…
Teaching Enzyme Catalysis Using an Open Source Framework for Interactive Molecular Dynamics in Virtual Reality
The reemergence of virtual reality (VR) in the last few years has led to affordable commodity hardware that can offer new ways to teach, communicate and engage with…
Free and Open Source Software for Computational Chemistry Education
Long in the making, computational chemistry for the masses is finally here. Our brief review on free and open source software (FOSS) packages points out the existence of…
The physics and the chemistry of the heat pad
Flexing a metallic disk triggers the crystallization of the supercooled sodium acetate solution contained in commercial heat pads. Many mechanisms have been proposed to…
Algebra with Sympy
This tool defines relations that all high school and college students would recognize as mathematical equations. They consist of a left hand side (lhs) and a right hand side…
Pandas GUI
This package provides GUI tools to help the user construct Pandas and Python expressions to create things such as new calculated columns, plots or fits. The tools are meant…
VIPEr Virtual Inorganic Pedagogical Electronic Resource: A community for teachers and students of inorganic chemistry
A Community of Practice for Improving Inorganic Chemical Education
A first encounter with the Hartree-Fock self-consistent-field method
This paper is intended to serve as a bridge between introductory textbooks on quantum mechanics, which typically do not cover the Hartree-Fock self-consistent-field method…
Experimental determination of the Boltzmann constant: An undergraduate laboratory exercise for molecular physics or physical chemistry
This article describes an undergraduate laboratory exercise that uses optical spectroscopy to determine the magnitude and the uncertainty of the Boltzmann constant kb. The…
A Tale of Two Molecules: How the Heat Capacities of N
\(_2\)
(g) and F
\(_2\)
(g) Differ At High Temperature and Why Naïve Expectations Fail to Explain These Differences: A Spreadsheet Exercise for Physical Chemistry Students
A spreadsheet-based exercise for students is described in which they are challenged to explain and reproduce the disparate temperature dependencies of the heat capacities of…
PyTherm applied thermodynamics
This is our project of open source computational resources for students of Applied Thermodynamics. Our target audience are students that may not yet know what Python is, so…
When the Kitchen Turns into a Physical Chemistry Lab
We present our experience with transferring a four-day photometry and dye-adsorption laboratory experiment to the kitchens of students of Applied Thermodynamics from our…
Project-Based Experiment in a Physical Chemistry Teaching Laboratory: Ion Effects on Caffeine Partitioning Thermodynamics
The Hofmeister series is a recurring trend that ranks ions’ abilities to influence various aqueous processes in solution. Herein, a set of project-based experiments was…
Interactive Explorations for Teaching and Learning Quantum Dynamics
While the research field of quantum dynamics (QD) benefits from advances in modern computational power, the educational field of QD paradoxically does not. We have developed…
An Upper Level Laboratory Exercise to Explore Computational Predictions of Regiochemistry in Electrophilic Aromatic Substitution
Electrophilic aromatic substitution (EAS) represents an important class of reactions taught in the undergraduate organic chemistry curriculum. The EAS reaction of benzene…
QuVis: The Quantum Mechanics Visualisation Project
QuVis is a collection of research-based interactive simulations for the learning and teaching of quantum mechanics concepts ranging from the advanced high school level to…
Comprehensive Physical Chemistry Learning Based on Blended Learning: A New Laboratory Course
The COVID-19 pandemic has led to an increasing amount of research on redesigning educational models. This paper describes the contents of a new laboratory course on physical…
PhET Interactive Simulations
From the Wikipedia description: PhET Interactive Simulations, a project at the University of Colorado Boulder, is a non-profit open educational resource project that creates…
Teaching Programming across the Chemistry Curriculum
Incorporating Necessary Skills for Research and Career Success. Programming and computational science is an essential part of chemistry, yet some curricula still do not…
Kolasinski’s Physical Chemistry YouTube Channel
This channel contains video tutorials to support students who are studying physical chemistry. These tutorials cover statistical mechanics, thermodynamics, electrochemistry…
TMP Chem YouTube Channel
The goal of TMP Chem is to provide free, high-quality physical chemistry study resources to anyone, anywhere.
Computational templates for introductory nuclear science using MathCad
Computational templates used to teach an introductory course in nuclear chemistry and physics at Washington University in St. Louis are presented in brief. The templates…
An Introduction to Python for Chemistry
An open-source project to develop an introductory textbook covering all aspects of Python programming for chemistry students (at all career positions).
pylj: python library for atomistic simulations
From the website:
Python in Chemistry
The pythoninchemistry pages are a series of resources for students and educators alike. They aim to combine an introduction to the Python programming language with an…
Conversations among Physical Chemists: Strategies and Resources for Remote Teaching and Learning Catalyzed by a Global Pandemic
Abstract
Using Familiar and New Assessment Tools in Physical Chemistry Courses During COVID-19
A fast track into online teaching in response to the COVID-19 crisis resulted in the author learning to use online platforms and tools to teach thermodynamics and quantum…
Faculty beliefs about the purposes for teaching undergraduate physical chemistry courses
We report the results of a phenomenographic analysis of faculty beliefs about the purposes for teaching upper-division physical chemistry courses in the undergraduate…
Chem 1000: Mathematics for Chemistry
This course is intended for sophomore and junior chemistry majors with a background of some calculus to prepare for physical and analytical chemistry courses. It presents…
Data Driven Exercises
The exercises are designed to provide supplemental exposure to select topics that are encountered in the chemistry curriculum. An attempt has been made to keep the exercises…
ESCIP: Enhancing Science Courses by Integrating Python
ESCIP is a collaborative dedicated to providing easy access to Jupyter Notebooks for chemistry, physics and astronomy education. We aim to build faculty networks and…
Thermodynamics, Statistical Mechanics & Kinetics: A Guided Inquiry
The activities presented guide students through a wide variety of topics found in a typical undergraduate treatment of Thermodynamics, Statistical Mechanics, and Kinetics.…
Spreadsheet-Based Program for Simulating Atomic Emission Spectra
A simple Excel spreadsheet-based program for simulating atomic emission spectra from the properties of neutral atoms (e.g., energies and statistical weights of the…
Chemtube3d
ChemTube3D contains interactive 3D chemistry animations and structures, with supporting information, for students studying some of the most important topics in advanced…
PSI4 Education
Psi4Education is the education and outreach program of Psi4, the free, open-source quantum chemistry software package. We offer a suite of free, open-source lab activities…
Beer foam kinetics
Surely an important application of kinetic models is to understand the fate of the beer head on a pint. An effective model can be developed for a fermentation process (a…
Virtual HeNDI Spectrometer
This virtual Helium NanoDroplet Isolation (HeNDI) spectrometer simulates the infrared spectra of OCS molecules in liquid helium droplets. The low temperature of the droplets…
Scientific Computing for Chemists
An online text used for a Scientific Computing chemistry course[1] intended to teach undergraduate chemistry students basic coding in Python and Jupyter Notebooks and…
Chemistry demonstration videos
Introductory contexts for an online physical chemistry course.
NMR spectra of 2,4-pentanedione keto-enol
NMR spectra of 2,4-pentanedione in various solvents (acetone, C6D6, C6D12, CD3CN, CDCl3, DMSO-d6) and at different temperatures in one solvent. Spectra are in PDF format…
Articles related to virtual/remote laboratory instruction
Compiled by Mary Emenike, submitted by Mark Muñiz, Rutgers University.
What Does the Fluorescence Spectrum of an Excimer Tell You About Its Thermodynamics?
Timing: This experiment takes two or three lab periods, each at least three hours long.
What Factors Govern the Escapability of a Molecule from a Liquid?
Many chemical experiments give us a macroscopic view of a chemical system, but we still have to develop an interpretation of what we observe in terms of the interaction…
How does a molecule’s elecronic state affect its acidity?
When a molecule absorbs light, the electron density rearranges, and the molecular geometry changes. Students can observe changes in the acidity of β-naphthol changes after…
How Is The Freezing Point Of A Binary Mixture Of Solids Related To The Composition Of The Mixture?
Solid mixtures have important “real-world” applications. Mixtures of lead and tin are used as solder to make jewelry, to connect copper pipes for plumbing, or to connect…
What Are the Kinetic Parameters of a Heterogeneous Reaction?
Heterogeneous reactions are examples of the economically important corrosion process. The reaction studied in this experiment is the oxidation of magnesium by dilute…
Climate Literacy and Energy Awareness Network (CLEAN)
The CLEAN Collection of Climate and Energy Educational Resources A collection of 700+ free, ready-to-use learning resources rigorously reviewed by educators and scientists…
Comparing the Morse potentials of several diatomics
This Jupyter notebook has been used in a classroom setting to
CO₂ IR absorption spectra
Spreadsheets with IR absorption spectra of ν1 and ν2 of CO₂. Supplemental information for the Journal of Chemical Education article “Total Chemical Footprint of an…
Raman spectra of cis- and trans-1,2-dichloroethene
Raman spectra of cis- and trans-1,2-dichloroethene. Neat liquid, through glass vial with JASCO NRS3100 confocal Raman spectrometer. Excitation wavelength 785nm.
Are the molecules that make a solution red big or small?
Students typically learn fundamental concepts of absorption spectroscopy, such as Beer’s Law, in their first chemistry courses. This experiment takes a classic experiment…
POGIL-PCL
We want the student goal in the Physical Chemistry lab to be learning how physical chemistry is done. Unfortunately, most students experience a laboratory where their goal…
Can we make stew with these beans?
You are making a meal and the recipe you are using calls for canned chickpea, but you do not have a can of chickpeas. While searching your kitchen, you find a bag of dried…
Carbon monoxide IR absorption spectra
CSV and xlsx data files of CO carbon monoxide IR absorption spectra at several resolutions. Recorded at a POGIL-PCL workshop hosted by UT-Austin.
Solving Common Introductory Quantum Mechanics Problems using Sympy
This Jupyter notebook show basic examples for quantum calculations encountered in undergraduate physical chemistry course. The purpose of this notebook is not to explain the…
MolSSI Education Resources
MolSSI offers 1-2 day workshops as well as online tutorial materials. All tutorials are hosted on GitHub in the MolSSI Education GitHub organization. Workshops and materials…
POGIL
POGIL is an acronym for Process Oriented Guided Inquiry Learning. The POGIL approach has two broad aims: to develop content mastery through student construction of their own…
Using Computational Methods To Teach Chemical Principles
While computational chemistry methods are usually a research topic of their own, even in the undergraduate curriculum, many methods are becoming mainstream and can be used…
Chemistry Student Success: A Field-Tested, Evidence-Based Guide
We have organized the book into four related sections around the main theme of pedagogical practices to support student success in chemistry. In “Section 1: Enhancing…
Resources for Teaching Your Chemistry Class Online: ACS JChemEd
In support of the dedicated educators who are meeting the challenge of keeping their students’ chemistry education going, while schools are closed to slow the spread of the…
Quantum Chemistry & Spectroscopy: A Guided Inquiry
Quantum Chemistry & Spectroscopy: A Guided Inquiry
was developed to facilitate more student-centered classroom instruction of physical chemistry. Based on principles…
Royal Society of Chemistry Higher Education Resources
RSC repository of teaching materials. The following categories are represented:
PhotoChemCAD Database of Absorption and Fluorescence Spectra of >300 Common Compounds
Search spectra by compound name or structure. Absorption and emission spectra downloadable in text format. Fluorescence quantum yields available for many compounds.
The principles of tomorrow’s university
In the 21st Century, research is increasingly data- and computation-driven. Researchers, funders, and the larger community today emphasize the traits of openness and…
Teaching and Learning with Jupyter
This handbook is for any educator teaching a topic that includes data analysis or computation in order to support learning. It is not just for educators teaching courses in…
Engaging Students in Physical Chemistry
This book reflects the diversity of physical chemistry experiences of the authors themselves. Some chapters provide suggestions to increase engagement by providing new…
Using Python to Explore the Morse Potential
Inspired by
Exploring the Morse Potential
, T. Zielenski, J. Chem. Ed., 1998,
75
(9), 1191 DOI: 10.1021/ed075p1191.1
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