Atkins, De Paula – Chimica Fisica 5/E

General links

General

UK Chemistry Departments
http://www.liv.ac.uk/Chemistry/Links/ukchemdepts.html
Links to UK chemistry departments.

International Chemistry Departments
http://www.liv.ac.uk/Chemistry/Links/international.html
Links to chemistry departments outside the UK.

Oxford University, Department of Chemistry
http://www.chem.ox.ac.uk/vrchemistry/
Oxford's virtual chemistry laboratory.

Chemistry Links
https://commodity.com/chemical-elements/chemistry-links/
A directory of chemistry on the World Wide Web.

HyperPhysics
http://hyperphysics.phy-astr.gsu.edu/hphys.html
A site which has information on almost all chemistry topics.

Virtual Chemistry Experiments
http://www.chm.davidson.edu/vce/index.html
A collection of interactive chemistry tutorials, which use Java3D.

Databases

NIST Chemistry Webbook
http://webbook.nist.gov
The NIST Chemistry Webbook provides access to data compiled and distributed by NIST.

Conversion Factors for Energy Equivalents from NIST
http://physics.nist.gov/cuu/Constants/energy.html
Very useful compilation of conversion factors from the National Institute of Standards and Testing (NIST).

CRC Handbook of Chemistry and Physics
http://hbcpnetbase.com
Excellent source of data in nearly all aspects of chemistry. Data may be accessed after purchasing a personal or institutional subscription.

Fundamental Physical Constants from NIST
http://physics.nist.gov/cuu/Constants
Essential compilation of currently accepted values for fundamental physical constants.

International System of Units from NIST
http://physics.nist.gov/cuu/Units/index.html
A useful introduction to the SI system of units.

NIST Elemental Data Index
http://physics.nist.gov/PhysRefData/Elements/index.html
Very useful compilation of data on elements by the NIST.

NIST Guidelines for Evaluating and Expressing Measurement Uncertainty
http://physics.nist.gov/Pubs/guidelines/contents.html
This document is based on NIST Technical Note 1297, 1994 Edition. The compilation is especially useful for instructors and students in physics, physical chemistry, and analytical chemistry courses.

WebElements Periodic Table of the Elements
http://www.webelements.com/webelements/scholar/index.html
Interactive periodic table of the elements, with extensive tabulation of physical and chemical properties.

IUPAC
http://www.iupac.org/
Abbreviated list of quantities, units and symbols in physical chemistry.

Societies

Royal Society of Chemistry
http://www.rsc.org
Contains useful information on and additional links in all areas of chemistry.

American Chemical Society
http://www.acs.org
Contains useful information on and additional links in all areas of chemistry.

American Physical Society
http://www.aps.org
Contains useful information on and additional links in areas of physics that overlap with areas of chemistry, such as materials science, laser science, spectroscopy, and computational science.

Biophysical Society
http://www.biophysics.org
Contains useful information on and additional links in areas of biophysics that overlap with areas of physical chemistry, such as biological spectroscopy and imaging, thermochemistry, dynamics, and computational biosciences.

American Geophysical Society
http://www.agu.org/
Contains useful information on and additional links in the areas of Earth and planetary science.

European Physical Society
http://www.eps.org/

European Association for Chemical and Molecular Sciences
http://www.euchems.eu/

Software

Mathcad
http://www.mathsoft.com
Mathematical software by MathSoft widely used in physical chemistry and engineering. The full program is available for purchase.

Mathematica
http://www.wolfram.com/products/mathematica
Mathematical software by Wolfram Research. It is widely used by mathematicians and physicists. The full program is available for purchase, but the viewer program, CDF Player, may be downloaded at no cost.

ODE Software for Matlab
http://math.rice.edu/~dfield
A free interactive utility that solves ordinary differential equations. Very useful in the study of kinetics and transport, but the on-line documentation is poor.

 

Fundamentals

Frostburg State University
http://antoine.frostburg.edu/chem/senese/101/index.shtml
Includes tutorials, quizzes, FAQs and more about fundamental chemistry and related mathematics

Chemtutor
http://www.chemtutor.com/
Extensive material on fundamental chemistry

The Department of Chemistry at the University of Illinois
http://www.chem.uiuc.edu/webFunChem/GenChemTutorials.htm
Fundamental chemistry illustrated with pictures and quizzes

ChemWiki
http://chemwiki.ucdavis.edu/
An open access chemistry textbook.

 

Chapter 01 – The properties of gases

Databases

CRC Handbook of Chemistry and Physics
http://www.hbcpnetbase.com/
Data on Fluid properties (section 6). Data may be accessed after purchasing a personal or institutional subscription.

Thermophysical Properties of Fluid Systems
http://webbook.nist.gov/chemistry/fluid/
Data on the thermophysical properties of fluid systems. This is a section of the NIST Chemistry webbook

Tutorials

Gas Laws Tutorial
http://chemistry.bd.psu.edu/jircitano/gases.html
Simple tutorial on gas laws.

Gas Laws
http://physics.info/gas-laws/problems.shtml
Practice problems on the topic of gas laws.

Deviation from Ideal
http://chemed.chem.purdue.edu/genchem/topicreview/bp/ch4/deviation5.html
Explains the deviations of gases from ideal behaviour.

Ideal and Real Gas Laws
http://www.towson.edu/~ladon/gases.html
Shows how to use equations to calculate unknowns.

Software

Pressure Conversion Online
http://www.convert-me.com/en/convert/pressure
Converter for different units of pressure.

 

Chapter 02 – The First Law

Databases

CODATA Key Values of Thermodynamics
http://www.codata.org/resources/databases/key1.html
Compilation of internationally accepted values for the thermodynamic properties of key chemical substances, proposed by the Committee on Data for Science and Technology (CODATA).

CRC Handbook of Chemistry and Physics
http://www.hbcpnetbase.com/
Data on Thermochemistry, electrochemistry, and kinetics (section 5) and Fluid properties (section 6). Data may be accessed after purchasing a personal or institutional subscription.

F*A*C*T Thermochemical Database
http://www.crct.polymtl.ca/fact/index.php
Very useful database of thermochemical properties.

NIST Chemistry Webbook.
http://webbook.nist.gov/chemistry
Contains databases of thermochemical properties of a large number of substances.

Tutorials

The First Law of Thermodynamics
http://web.mit.edu/16.unified/www/FALL/thermodynamics/notes/node15.html
Simple tutorial on the First Law.

The First Law of Thermodynamics
http://physics.bu.edu/~duffy/py105/Firstlaw.html
Another web page on thermodynamics with some worked examples.

First Law of Thermodynamics
http://hyperphysics.phy-astr.gsu.edu/hbase/thermo/firlaw.html#c1
HyperPhysics page on thermodynamics.

 

Chapter 03 – The Second Law

Databases

CODATA Key Values of Thermodynamics
http://www.codata.org/resources/databases/key1.html
Compilation of internationally accepted values for the thermodynamic properties of key chemical substances, proposed by the Committee on Data for Science and Technology (CODATA).

CRC Handbook of Chemistry and Physics
http://www.hbcpnetbase.com/
Data on Thermochemistry, electrochemistry, and kinetics (section 5) and Fluid properties (section 6). Data may be accessed after purchasing a personal or institutional subscription.

F*A*C*T Thermochemical Database
http://www.crct.polymtl.ca/fact/index.php
Very useful database of thermochemical properties that also includes utilities for Gibbs energy minimization calculations.

NIST Chemistry Webbook.
http://webbook.nist.gov/chemistry
Contains databases of thermochemical properties of a large number of substances.

Tutorials

Second Law of Thermodynamics
http://entropysite.oxy.edu/students_approach.html
Basic introduction to the Second Law.

Second Law of Thermodynamics
http://hyperphysics.phy-astr.gsu.edu/hbase/thermo/seclaw.html#c1
HyperPhysics page on the second law.

Second Law of Thermodynamics
http://theory.uwinnipeg.ca/mod_tech/node78.html
A more comprehensive tutorial on the second law.

First and Second Law
http://www.columbia.edu/itc/chemistry/chem-c140498/jack/ch11.html
A song about the laws of thermodynamics by Flanders and Swan.

Entropy and the Second and Third Rules
http://chemed.chem.purdue.edu/genchem/topicreview/bp/ch21/chemical.php
Introduction to entropy.

Maxwell Relations
http://scienceworld.wolfram.com/physics/MaxwellRelations.html
Derivations of the Maxwell Relations.

The Engineering Toolbox
http://www.engineeringtoolbox.com/enthalpy-entropy-d_998.html
Page on enthalpy and entropy.

 

Chapter 04 – Physical transformations of pure substances

Databases

CRC Handbook of Chemistry and Physics
http://www.hbcpnetbase.com/
Data may be accessed after purchasing a personal or institutional subscription.

NIST Chemistry Webbook
http://webbook.nist.gov/chemistry
Contains databases of thermochemical properties of a large number of substances.

Thermophysical Properties of Fluid Systems
http://webbook.nist.gov/chemistry/fluid/
Thermophysical Properties of Fluid Systems.

Tutorials

Phase Diagrams
http://www.science.uwaterloo.ca/~cchieh/cact/c123/phasesdgm.html
Gentle introduction to phase diagrams.

Phase Diagrams
http://www1.lsbu.ac.uk/water/phase.html
Interactive water phase diagram

Phase Equilibria Menu
http://www.chemguide.co.uk/physical/phaseeqiamenu.html#top
Comprehensive coverage of phase equilibria including Raoult's Law.

Phase Rule
http://pruffle.mit.edu/3.00/Lecture_26_web/Lecture_26_web.html
More information on the phase rule.

Phase Changes
http://www.chm.davidson.edu/vce/PhaseChanges/index.html
Virtual chemistry experiments relating to phase changes.

 

Chapter 05 – Simple mixtures

Databases

CRC Handbook of Chemistry and Physics
http://www.hbcpnetbase.com/
Data may be accessed after purchasing a personal or institutional subscription.

NIST Chemistry Webbook
http://webbook.nist.gov/chemistry/
Contains databases of thermochemical properties of a large number of substances.

F*A*C*T Database
http://www.crct.polymtl.ca/FACT/
Useful collection of phase diagrams.

Thermophysical Properties of Fluid Systems
http://webbook.nist.gov/chemistry/fluid/
Thermophysical Properties of Fluid Systems.

Fluid Phase Equilibria
http://www.journals.elsevier.com/fluid-phase-equilibria/
Link to the Fluid Phase Equilibria journal homepage

Tutorials

Mixtures; Partial Molar Quantities; ideal solutions
http://www.chem.arizona.edu/~salzmanr/480a/480ants/mixpmqis/mixpmqis.html
The equations behind ideal solutions, mixtures and partial molar quantities.

Phase Diagrams
http://www.science.uwaterloo.ca/~cchieh/cact/c123/phasesdgm.html
Gentle introduction to phase diagrams.

Phase Equilibria Menu
http://www.chemguide.co.uk/physical/phaseeqiamenu.html#top
Comprehensive coverage of phase equilibria including Raoult's Law.

Phase Rule
http://www.chm.bris.ac.uk/~chdms/Teaching/Chemical_Interactions/page_09.htm
More information on the phase rule.

Software

Henry's Law Constants
http://www.henrys-law.org
Extensive compilation of Henry's Law constants, including an online calculator for conversion between units.

 

Chapter 06 – Chemical equilibrium

Databases

CRC Handbook of Chemistry and Physics
http://www.hbcpnetbase.com/
Data may be accessed after purchasing a personal or institutional subscription.

Tutorials

Electrochemistry Dictionary
http://electrochem.cwru.edu/ed/dict.htm#A
A useful dictionary on all the terms used in electrochemistry.

Electrochemistry
http://chemwiki.ucdavis.edu/Analytical_Chemistry/Electrochemistry
Detailed page on electrochemistry.

Voltaic Cells
http://hyperphysics.phy-astr.gsu.edu/hbase/chemical/electrochem.html#c2
HyperPhysics pages on Electrochemistry.

The Nernst Equation
http://hyperphysics.phy-astr.gsu.edu/hbase/chemical/electrode.html#c3
HyperPhysics pages on the Nernst equation.

Standard Electrode Potentials
http://hyperphysics.phy-astr.gsu.edu/hbase/chemical/electrode.html#c1
HyperPhysics pages on standard electrode potentials.

Electrochemistry
http://www.funsci.com/fun3_en/electro/electro.htm
Includes experimental methods on 'the lemon battery'.

Electrochemistry and Electrolyte Solutions
http://www.colby.edu/chemistry/PChem/Lecture1.html
Summary sheets containing relevant equations for each topic.

 

Chapter 07 – Quantum theory: introduction and principles

Databases

CRC Handbook of Chemistry and Physics
http://www.hbcpnetbase.com/
Data may be accessed after purchasing a personal or institutional subscription.

NIST Ground Levels and Ionization Energies for Neutral Atoms
http://physics.nist.gov/PhysRefData/IonEnergy/ionEnergy.html
Compilation of the currently accepted values of ground state and ionization energies of neutral atoms. These data inform semi-empirical atomic and molecular orbital calculations.

Tutorials

The Quantised World
http://nobelprize.org/physics/educational/quantised_world/intro-3.html
This site gives the history and people behind the development of quantum theory.

Quantum Physics
http://hyperphysics.phy-astr.gsu.edu/hbase/quantum/schrcn.html#c1
HyperPhysics pages on quantum mechanics (i.e. details on operators, wave functions)

The Uncertainty Principle
http://theory.uwinnipeg.ca/physics/quant/node7.html
More on the uncertainty principle.

The Uncertainty Principle
http://science.howstuffworks.com/innovation/science-questions/quantum-suicide2.htm
Discussion of Heisenberg's Uncertainty Principle in the context of the thought experiment "Quantum Suicide".

Applied Quantum Physics
http://www.physics.umd.edu/perg/qm/qmcourse/NewModel/qmtuts.htm
A range of resources covering many aspects of quantum mechanics.

 

Chapter 08 – Quantum theory: techniques and applications

Databases

CRC Handbook of Chemistry and Physics
http://www.hbcpnetbase.com/
Data may be accessed after purchasing a personal or institutional subscription.

Tutorials

Quantum Mechanics in Chemistry
http://simons.hec.utah.edu/TheoryPage/BookPDF/TableofContents.html
Online book by Jack Simons and Jeff Nichols.

Quantum Tunnelling
http://en.wikipedia.org/wiki/Quantum_tunneling
Wikipedia encyclopaedia extract on quantum tunnelling.

Applied Quantum Mechanics
http://assets.cambridge.org/052181/765X/sample/052181765Xws.pdf
Detailed information on a simple harmonic oscillator model.

Quantum tunneling time
http://cosmos.asu.edu/sites/default/files/publication_files/quantum_tunneling_time.pdf
Interesting article about a quantum clock experiment.

Advanced Quantum Mechanics
http://www.youtube.com/watch?v=8mi0PoPvLvs
A series of lectures provided by Stanford University.

 

Chapter 09 – Atomic structure and spectra

Databases

CRC Handbook of Chemistry and Physics
http://www.hbcpnetbase.com/
Data may be accessed after purchasing a personal or institutional subscription.

NIST Atomic Spectra Database
http://physics.nist.gov/cgi-bin/AtData/main_asd
This is NIST Standard Reference Database #78. The spectroscopic data may be displayed according to wavelengths or energy levels.

NIST Ground Levels and Ionization Energies for Neutral Atoms
http://physics.nist.gov/PhysRefData/IonEnergy/ionEnergy.html
Compilation of the currently accepted values of ground state and ionization energies of neutral atoms. These data inform semi-empirical atomic and molecular orbital calculations.

WebElements Periodic Table of the Elements
http://www.webelements.com/webelements/scholar/index.html
Interactive periodic table of the elements, with extensive tabulation of physical and chemical properties.

Tutorials

A useful collection of resources covering many areas
http://www.ias.ac.in/initiat/sci_ed/resources/chemistry/physical.html
Useful links from the Indian Academy of Sciences.

Hartree Fock Method
http://www.chm.davidson.edu/ronutt/che401/HartreeFock/HartreeFock.htm
Example of Hartree Fock method (or self consistent field).

What is a singlet, doublet, a triplet etc state?
http://www.madsci.org/posts/archives/mar2001/985185599.Ph.r.html
Singlet, doublet and triplet explained using quantum mechanical notation (operators etc.).

Selection Rules
http://hyperphysics.phy-astr.gsu.edu/hbase/quantum/hydazi.html#c3
Summary of the selection rules by hyperphysics.

The Assignment of Atomic Term Symbols
http://www.chem.ufl.edu/~itl/4412/lectures/ATermSym.html
Step-by-step help for assigning term symbols.

Atomic Absorption and Emission Spectra
http://csep10.phys.utk.edu/astr162/lect/light/absorption.html
A simple introduction to atomic absorption and emission spectra.

Hydrogenic Atomic Orbitals
http://csi.chemie.tu-darmstadt.de/ak/immel/script/redirect.cgi?filename=http://csi.chemie.tu-darmstadt.de/ak/immel/tutorials/orbitals/hydrogenic.html
Overview of different orbitals and their shapes for hydrogenic atoms

Electronic Structure
http://www.chemistry.mcmaster.ca/esam/Chapter_4/section_3.html
Tutorial on the electronic structure of atoms and molecules

Emission and Absorption Spectra
http://www.youtube.com/watch?v=fPt0jXHwqUw
YouTube Video explanation of emission and absorption spectra.

 

Chapter 10 – Molecular structure

Databases

CRC Handbook of Chemistry and Physics
http://www.hbcpnetbase.com/
Data may be accessed after purchasing a personal or institutional subscription.

Tutorials

Molecular orbitals for polyatomic systems
http://www.chemistry.mcmaster.ca/esam/Chapter_8/section_6.html
Molecular orbitals for polyatomic systems.

Huckel Theory
http://www.chem.qmul.ac.uk/software/download/mo/6.pdf
A short tutorial on Huckel theory.

Molecular Shape
http://www2.chemistry.msu.edu/faculty/reusch/virttxtjml/intro3.htm
Short tutorial on molecular shape, with links to 3D rotatable molecules.

VSEPR
http://intro.chem.okstate.edu/1314F00/Lecture/Chapter10/VSEPR.html
Tutorial on VSEPR and molecular geometry.

Software

SHMO – Simple Huckel MO Theory Calculator
http://www.chem.ucalgary.ca/SHMO/
Freeware that performs Hückel molecular orbital calculations with a simple graphical user interface.

WebMO
http://www.webmo.net
Freeware that provides a graphical user interface for popular electronic structure software (such as GAUSSIAN, GAMESS, and MOPAC). The computational engine must run on a UNIX or Linux server, but the WebMO interface allows for users to generate input and obtain output from any networked computer.

 

Chapter 11 – Molecular symmetry

Tutorials

The Point Group Tutorial
http://www.reciprocalnet.org/edumodules/symmetry/intro.html
An interactive tutorial designed to help students identify symmetry elements and assign point groups to molecules.

3D Exercises in Point Group Symmetry
http://www.ch.ic.ac.uk/vchemlab/symmetry/
The 3D structures may be helpful for those struggling to identify symmetry operations.

Molecular Symmetry
http://vallance.chem.ox.ac.uk/pdfs/SymmetryLectureNotes2009.pdf
Lecture notes on molecular symmetry and group theory.

 

Chapter 12 – Molecular spectroscopy 1: rotational and vibrational spectra

Databases

CRC Handbook of Chemistry and Physics
http://www.hbcpnetbase.com/
Data may be accessed after purchasing a personal or institutional subscription.

NIST Chemistry Webbook
http://webbook.nist.gov/chemistry/
Contains databases of electronic and vibrational spectra.

Spectral Database System for Organic Compounds
http://riodb01.ibase.aist.go.jp/sdbs/cgi-bin/cre_index.cgi?lang=eng
A database system for organic compounds including NMR, FT-IR, Raman, and ESR spectra.

Tutorials

Spectroscopic Simulator
http://www.chemcollective.org/applets/spectro.php
Simulation of rotational-vibrational spectra of diatomic molecules in the gas phase.

NMR of Alkenes
http://chemwiki.ucdavis.edu/Organic_Chemistry/Hydrocarbons/Alkenes/Properties_of_Alkenes/Nuclear_Magnetic_Resonance_(NMR)_of_Alkenes
Page on the nuclear magnetic resonance of alkenes.

Beer-Lambert Law
http://elchem.kaist.ac.kr/vt/chem-ed/spec/beerslaw.htm
Explanation and derivation (but notation a bit difficult to follow).

Moment of Inertia
http://hyperphysics.phy-astr.gsu.edu/hbase/mi.html
More like a summary on the key points on moments of inertia.

Molecular Rotational Spectroscopy
http://192.207.64.1/somsak/2302633/2302633-Chapter3-6.pdf
A lecture handout on rotational spectroscopy of a diatomic molecule and a linear polyatomic molecule.

Rotational Raman Spectroscopy
http://physchem.ox.ac.uk/~hmc/tlab/605/html/introduction01.htm
Online practical on rotational raman spectroscopy with interactive applets showing J+2 and J-2 lines, changes with temperature, centrifugal distortion and gives labels for all the lines.

Software

ComSpec3D
http://www2.ccc.uni-erlangen.de/services/vrmlvib/vib_intro.html
Interactive software that simulates the infrared absorption and Raman scattering spectra of molecules containing main group elements.

WebMO
http://www.webmo.net
Freeware that provides a graphical user interface for popular electronic structure software (such as GAUSSIAN, GAMESS, and MOPAC). The computational engine must run on a UNIX server, but the WebMO interface allows for users to generate input and obtain output from any networked computer. Depending on the capability of the server application, vibrational and electronic spectra may be simulated.

Online Programs for Spectroscopy
http://www.spec-online.de/
Interactive aids for interpretation of IR and NMR spectra of organic compounds.

 

Chapter 13 – Molecular spectroscopy 2: electronic transitions

Databases

CRC Handbook of Chemistry and Physics
http://www.hbcpnetbase.com/
Data may be accessed after purchasing a personal or institutional subscription.

NIST Chemistry Webbook
http://webbook.nist.gov/chemistry/
Contains databases of electronic and vibrational spectra.

Tutorials

Electronic Spectroscopy of Diatomic Molecules
http://bernath.uwaterloo.ca/media/DiatomicElectronic.pdf
Comprehensive material about electronic spectroscopy.

Electronic Spectroscopy
http://chemwiki.ucdavis.edu/Physical_Chemistry/Spectroscopy/Electronic_Spectroscopy/Electronic_Spectroscopy%3A_Interpretation
Tutorial on electronic spectroscopy interpretation.

Light Absorption and Fate of Excitation Energy
http://www.life.uiuc.edu/govindjee/biochem494/Abs.html
Another site on the Franck Condon Principle.

Photoelectron Spectroscopy
http://www.chem.qmul.ac.uk/surfaces/scc/scat5_3.htm
Information on X-ray and Ultraviolet photoelectron Spectroscopy.

Fluorescence Spectroscopy
http://phys.educ.ksu.edu/vqm/html/fluorescence.html
Interactive fluorescence spectroscopic graph (requires plugin download).

UV-Vis Absorption Spectroscopy
http://teaching.shu.ac.uk/hwb/chemistry/tutorials/molspec/uvvisab1.htm
Theoretical principles of UV-vis absorption spectroscopy.

Electronic Transitions
http://kias.dyndns.org/biophys.2ed/quanta.html
Includes an interactive diagram showing combinations of different colours.

 

Chapter 14 – Molecular spectroscopy 3: magnetic resonance

Databases

CRC Handbook of Chemistry and Physics
http://www.hbcpnetbase.com/
Data may be accessed after purchasing a personal or institutional subscription.

BioMagResBank
http://www.bmrb.wisc.edu/
A database for NMR spectroscopists working on proteins, peptides, and nucleic acids.

Enhanced NMR Periodic Table
http://www.chem.tamu.edu/services/NMR/periodic/
Useful database of the magnetic properties of nuclei that may be used in NMR spectroscopy.

Spectral Database System for Organic Compounds
http://riodb01.ibase.aist.go.jp/sdbs/cgi-bin/cre_index.cgi?lang=eng
A database system for organic compounds including NMR, FT-IR, Raman, and ESR spectra.

Tutorials

Nuclear Magnetic Resonance Spectroscopy
http://www.shu.ac.uk/schools/sci/chem/tutorials/molspec/nmr1.htm
Theoretical principles of NMR.

Nuclear Magnetic Resonance
http://hyperphysics.phy-astr.gsu.edu/hbase/nuclear/nmr.html
HyperPhysics page on NMR which is quite basic.

Nuclear Overhauser Effect
http://bouman.chem.georgetown.edu/nmr/noe/noe.htm
Nuclear overhauser effect.

Magnetic Resonance Spectroscopy
http://ocw.mit.edu/courses/chemistry/5-33-advanced-chemical-experimentation-and-instrumentation-fall-2007/lecture-notes/magresspec.pdf
Covers both NMR and ESR/EPR

Solid State NMR
http://mutuslab.cs.uwindsor.ca/schurko/ssnmr/
A tutorial by Rob Schurko from the University of Windsor.

Software

Online Programs for Spectroscopy
http://www.spec-online.de/
Interactive aids for interpretation of IR and NMR spectra of organic compounds.

 

Chapter 15 and 16 – Statistical thermodynamics

Databases

CRC Handbook of Chemistry and Physics
http://www.hbcpnetbase.com/
Data may be accessed after purchasing a personal or institutional subscription.

Tutorials

Java Demos for Probability & Statistics
http://www.math.csusb.edu/faculty/stanton/probstat/
An interactive introduction to probability models that are useful in the study of statistical thermodynamics.

The Ideal Atmosphere
https://www.chem.uci.edu/undergraduate/applets/canonical/canonical.htm
A simplified simulation of the Earth's atmosphere illustrates the canonical ensemble and the Boltzmann distribution.

Notes on Statistical Thermodynamics
http://www.chem.arizona.edu/~salzmanr/480b/statt01/statt01.html
Statistical thermodynamics.

Principles of Statistical Thermodynamics
http://www.uic.edu/labs/trl/1.OnlineMaterials/BasicPrinciplesByTWLeland.pdf
Article on the basic principles of classical and statistical thermodynamics.

 

Chapter 17 – Molecular interactions

Databases

CRC Handbook of Chemistry and Physics
http://www.hbcpnetbase.com/
Data may be accessed after purchasing a personal or institutional subscription.

Tutorials

Surface tension
http://hyperphysics.phy-astr.gsu.edu/Hbase/surten.html
Practical examples of surface tension

Molecular Interactions
http://ww2.chemistry.gatech.edu/~lw26/structure/molecular_interactions/mol_int.html
Page on molecular interactions, illustrated by biochemical systems

Intermolecular Interactions in the Gas Phase
http://web.mst.edu/~gbert/INTERACT/intermolecular.HTM
Page describing intermolecular interactions in the gas phase.

Dipole-Dipole Interactions
http://chemwiki.ucdavis.edu/Physical_Chemistry/Quantum_Mechanics/Atomic_Theory/Intermolecular_Forces/Dipole-Dipole_Interactions
Page on dipole-dipole interactions.

Software

Virtual Molecular Dynamics Laboratory
http://polymer.bu.edu/wamnet.html
A collection of free programs and interactive Java applets.

 

Chapter 18 – Materials 1: macromolecules and self-assembly

Databases

CRC Handbook of Chemistry and Physics
http://www.hbcpnetbase.com/
Data may be accessed after purchasing a personal or institutional subscription.

Database of Macromolecular Movements
http://molmovdb.org
A collection of movies describing motions in proteins and other macromolecules. Also available are freeware and server-based tools for structural analysis.

NDB
http://ndbserver.rutgers.edu/
A database of nucleic acid structures.

RCSB Protein Data Bank
http://www.rcsb.org/pdb
A database of structures of proteins obtained by X-ray diffraction or NMR spectroscopy. For best viewing of the three-dimensional structures, install a molecular visualization plug-in (such as MDL Chime, Protein Explorer, or RasMol).

Tutorials

MALDI-TOF
http://www.abrf.org/ABRFNews/1997/June1997/jun97lennon.html
MALDI-TOF mass spectrometry.

Software

CORINA
http://www.molecular-networks.com/online_demos/corina_demo.html
Interactive molecule builder and energy minimizer.

PredictProtein
http://www.predictprotein.org/
A web-based service for prediction of protein structures.

Protein Explorer
http://www.umass.edu/microbio/chime/pe_beta/pe/protexpl/frntdoo2.htm
A free browser plug-in for molecular visualization, based on RasMol.

RasMol
http://www.umass.edu/microbio/rasmol/
A free browser plug-in for molecular visualization.

 

Chapter 19 – Materials 2: solids

Databases

CRC Handbook of Chemistry and Physics
http://www.hbcpnetbase.com/
Data may be accessed after purchasing a personal or institutional subscription.

MatWeb
http://www.matweb.com/
An online database of thermochemical and rheological properties of materials of interest to industrial chemists and chemical engineers.

WebElements Periodic Table of the Elements
http://www.webelements.com/webelements/scholar/index.html
Interactive periodic table of the elements, with extensive tabulation of physical and chemical properties.

Tutorials

X-ray Diffraction
http://www.doitpoms.ac.uk/tlplib/xray-diffraction/index.php
Learning resource from the University of Cambridge on X-ray diffraction techniques

 

Chapter 20 – Molecules in motion

Databases

CRC Handbook of Chemistry and Physics
http://www.hbcpnetbase.com/
Data may be accessed after purchasing a personal or institutional subscription.

Tutorials

Collision theory
http://www.chemguide.co.uk/physical/basicrates/introduction.html
Page on the collision theory of reaction rates.

Diffusion
http://www.scienceisart.com/A_Diffus/DiffusMain_1.html
Page on diffusion

 

Chapter 21 – The rates of chemical reactions

Databases

CRC Handbook of Chemistry and Physics
http://www.hbcpnetbase.com/
Data may be accessed after purchasing a personal or institutional subscription.

Data for Use in Stratospheric Modelling
http://jpldataeval.jpl.nasa.gov/
Very useful compilation of kinetic data by NASA's Jet Propulsion Laboratory.

NASA Atmospheric Chemistry Data and Resources
http://mirador.gsfc.nasa.gov/cgi-bin/mirador/presentNavigation.pl?tree=project
This page contains information about the Upper Atmosphere Research Satellite, Total Ozone Mapping Spectrometer, Shuttle Solar Background Ultraviolet, and other atmospheric chemistry related data.

Thermodynamics of Enzyme-catalysed Reactions
http://xpdb.nist.gov/enzyme_thermodynamics/
Extensive compilation of equilibrium constants for enzyme-catalyzed reactions. This is NIST Standard Reference Database 74.

Tutorials

The Arrhenius Equation
http://www.shodor.org/UNChem/advanced/kin/arrhenius.html
Calculator for the Arrhenius equation.

The Eyring Equation
http://www.chemie.uni-regensburg.de/Organische_Chemie/Didaktik/Keusch/eyr-e.htm
Good explanation of the Eyring Equation.

Rates of Reaction
http://www.chem.ox.ac.uk/vrchemistry/rates/newhtml/
Basic introduction to the rates of chemical reactions, including problem questions.

 

Chapter 22 – Reaction dynamics

Databases

CRC Handbook of Chemistry and Physics
http://www.hbcpnetbase.com/
Data may be accessed after purchasing a personal or institutional subscription.

Data for Use in Stratospheric Modelling
http://jpldataeval.jpl.nasa.gov/
Very useful compilation of kinetic data by NASA's Jet Propulsion Laboratory.

NASA Atmospheric Chemistry Data and Resources
http://mirador.gsfc.nasa.gov/cgi-bin/mirador/presentNavigation.pl?tree=project
This page contains information about the Upper Atmosphere Research Satellite, Total Ozone Mapping Spectrometer, Shuttle Solar Background Ultraviolet, and other atmospheric chemistry related data.

Thermodynamics of Enzyme-catalysed Reactions
http://xpdb.nist.gov/enzyme_thermodynamics/
Extensive compilation of equilibrium constants for enzyme-catalyzed reactions. This is NIST Standard Reference Database 74.

Tutorials

The Arrhenius Equation
http://www.shodor.org/UNChem/advanced/kin/arrhenius.html
Calculator for the Arrhenius equation.

The Eyring Equation
http://www.chemie.uni-regensburg.de/Organische_Chemie/Didaktik/Keusch/eyr-e.htm
Good explanation of the Eyring Equation.

Rates of Reaction
http://www.chem.ox.ac.uk/vrchemistry/rates/newhtml/
Basic introduction to the rates of chemical reactions, including problem questions.

 

Chapter 23 – Catalysis

Databases

CRC Handbook of Chemistry and Physics
http://www.hbcpnetbase.com/
Data may be accessed after purchasing a personal or institutional subscription.

Tutorials

Introduction to Catalysis
http://www.chemguide.co.uk/physical/catalysis/introduction.html
Good introduction to homogenous and heterogenous catalysis.

Enzymes
http://chemwiki.ucdavis.edu/Biological_Chemistry/Catalysts
Introduction to enzymes.

Surface adsorption
http://www.chem.qmul.ac.uk/surfaces/scc/scat2.htm
The mathematics behind surface adsorption and desorption.