List of Databases and Modelling Software for Chemistry
LibGuide - some useful tips about selecting sources?
Databases of Physical Properties (and more)
Chem Spider - http://www.chemspider.com/
Chem Ed X - http://chemdata.r.umn.edu/chemedXdata/
National Chemical Database Service (CDS) - http://cds.rsc.org/
National Institute of Standards and Technology (NIST) - http://webbook.nist.gov/
Computational Chemistry Comparison and Benchmark Database (thermochemical data,
polarizability, electric dipoles, vibrational frequency) - https://cccbdb.nist.gov
Wired Chemist - http://www.wiredchemist.com/chemistry/data
PubChem - https://pubchem.ncbi.nlm.nih.gov/
Merck Index - https://www.rsc.org/merck-index
Argonne Active Thermochemical Tables - https://atct.anl.gov/
Chemicalize - https://chemicalize.com/#/?_k=4fetgu
Chemistry Dashboard - https://comptox.epa.gov/dashboard
CRC Handbook of Chemistry and Physics - hard copy edition available in the Science
Department (older editions can be found online, but many of the pdf files are not searchable)
- maybe this link for the 101st online edition will work
CRC - Google book version (searchable, but not all data is available)
https://books.google.com.hk/books?id=VVezDAAAQBAJ&pg=PP12&source=gbs_selected_p
ages&cad=2#v=onepage&q=sodium%20chloride&f=false
Handbook of Aqueous Solubility Data (pdf) https://www.google.com.hk/webhp?sourceid=chrome-instant&ion=1&espv=2&ie=UTF8#q=handbook%20of%20aqueous%20solubility%20data
IUPAC/NIST Solubility Database
https://srdata.nist.gov/solubility/index.aspx
SIxty-Four Free Chemistry Databases
http://depth-first.com/articles/2011/10/12/sixty-four-free-chemistrydatabases/?fbclid=IwAR3YP1A72fTC5VKp246vKVejvZjM3uor_p2ZSHoGfDOu9UC5cl3Ah7F
xS00
Polymer Database
https://polymerdatabase.com/more.html
NYU Molecular Library - https://www.nyu.edu/pages/mathmol/library/
Royal Society of Chemistry - https://www.rsc.org/journals-books-databases/databasesliterature-updates/
- Links to several databases - marine natural products, Merck Index, ChemSpider, and
others)
ThermoDex (University of Texas)
https://apps.lib.utexas.edu/apps/libraries/thermodex/nlogon/search
CHEMnetBase - http://www.chemnetbase.com/faces/search/SimpleSearch.xhtml
Chemical Thesaurus (Reaction Chemistry Databases) - http://www.chemthes.com
Table of Diffusion Co-efficients - https://www.aqion.de/site/diffusion-coefficients
Online Periodic Tables
Dynamic Periodic Table - http://ptable.com/#
Spectroscopy Databases
NMR Shift - http://nmrshiftdb.nmr.uni-koeln.de/
Chemical Structure Lookup Service - http://cholla.chemnavigator.com/cgi-bin/lookup/search
Spectral Database for Organic Structures (AIST, Japan) - http://sdbs.db.aist.go.jp/sdbs/cgibin/direct_frame_top.cgi
Tools for NMR Spectroscopists - http://www.nmrdb.org/new_predictor/index.shtml?v=v2.15.1
Spectra Databases - https://mason.gmu.edu/~sslayden/Lab/spec-db.htm
Simulate and predict NMR - http://www.nmrdb.org/
SpectraBase - https://spectrabase.com/
Chemical Detectives app - Apple
Environmental Databases
United States Environmental Protection Agency - http://www3.epa.gov/enviro/facts/
Environmental Dataset Gateway - https://edg.epa.gov/metadata/catalog/main/home.page
European Environment Agency - http://www.eea.europa.eu/data-and-maps
United Nations Environment Programme - http://geodata.grid.unep.ch/
Database of Environmental Education Related Organizations Among Asian Countries http://www.jeef.or.jp/EAST_ASIA/
Netr Online (American) - http://www.netronline.com/
World Bank - http://data.worldbank.org/topic/environment
Knoema - https://knoema.com/
Climate Change (NASA)
https://climate.nasa.gov/
Environmental Data from Satellites http://libguides.westsoundacademy.org/c.php?g=361523&p=2443286#s-lg-box-wrapper8772372
Environmental Protection Dept. (HK): Marine Water Quality Data
Chemmine - could be useful for environmental or medicine-related database IAs
http://chemminedb.ucr.edu
Collections of Databases
List of assorted databases (from Wired Chemist) http://www.wiredchemist.com/chemistry/links/databases
Many organic chemistry databases (University of Wisconsin) http://www.chem.wisc.edu/areas/organic/index-chem.htm
Royal Society of Chemistry - Database collections
1. http://www.rsc.org/Education/Teachers/Resources/Databook/
2. http://www.rsc.org/journals-books-databases/databases-literatureupdates/#databases
Sixty-Four Free Chemical Databases
http://depth-first.com/articles/2011/10/12/sixty-four-free-chemistry-databases/
Collection of Databases - http://compchemmpi.wikispaces.com/Databases
National Chemical Database Service - http://cds.rsc.org/
(some sections may only be available in th eUK
Our World in Data
Knoema - https://knoema.com/
GitHub Public Data sets - https://github.com/awesomedata/awesome-public-datasets
Modelling Software
MolView (free) - www.molview.org
- can also access spectra for some molecules
Avogadro (free) - http://avogadro.cc/wiki/Main_Page
ChemSketch (free) - PC only, or on MacOS with a PC virtualizer
Chemdoodle https://www.chemdoodle.com/
- can also access spectra for some molecules
JSmol
http://jmol.sourceforge.net/
Chemicalize - https://chemicalize.com/welcome
Marvin Sketch (free for individual, academic and non-commercial use) https://chemaxon.com/products/marvin
Molecule Calculator - http://molcalc.org/
- model and calculate molecular and thermodynamic properties
http://www.molinspiration.com/
ChemTube 3D - http://www.chemtube3d.com/index.html
WebMO - https://www.webmo.net/
- Free download for PC and Mac web browsers
- Also available as an app for iOS and Android
NYU Molecular Library (not modelling( - https://www.nyu.edu/pages/mathmol/library/
Image Analysis
ImageJ - https://imagej.net/Welcome
Colorometer app for iphone (note the spelling - no “i” in this name)
- https://itunes.apple.com/us/app/colorometer/id509865412?mt=8
- not tested yet, but this might be helpful
- able to measure absorbance of R, G, B from a variety of images
Smartphone Apps
Color Assist app - can use in place of a colorimeter
- https://itunes.apple.com/us/app/colorassist/id496585813?mt=8
- Nomimal cost
Science Journal (Google)
- Accelerometer
- Ambient light sensor
- Microphone
- Connections to Vernier sensors
Simulations
GasSim Simulator
https://chem.libretexts.org/Ancillary_Materials/Visualizations_and_Simulations/GasSim%3A_
Gas_Law_Simulator/GasSim/GasSim_Simulator
JonDarkow - Simulations (mostly Biology)
https://sites.google.com/site/biologydarkow/home
Wolfram Alpha
https://demonstrations.wolfram.com/education.html?edutag=High+School+Chemistry&limit=2
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