Safety first! Thanks to all the future scientists from Mrs. C’s all-girls STEM Club for bringing this fantastic lab safety resource to my attention: Lab Safety Tips by OSHA. Additional useful resources are listed below. All credit for these goes to their original creators.

Databases and tables

• SciFinder: General Introduction, Advanced Structure Search, and Advanced Reaction Search
• DAGS Mental Health Webpage: For information and help
• Colourblindness simulator: For checking the accessibility of your figures
• Advanced Materials Figures Guide: Tips for making better figures
• SDBS (Organic NMR)
• Hans Reich’s comprehensive NMR concepts course
• NMR Shift DB - Multinuclear Structure Search
• Trace Impurities (Organic)
• Trace Impurities (Organometallic)
• Homolytic bond strengths
• Solvent properties
• Fluoride ion affinities
• DMSO pKa table

General lab techniques

• Chemtips - General lab techniques
• The Safety Net - Inorganic Chemistry SOPs
• Crystal Growth
• Dr. Andryj Borys’s Schlenk line SOP website
• Various aspects of Schlenk technique
• Calculating NMR yields by integration
• Transferring pyrophoric reagents

Computational chemistry resources

• Common procedures: Dal email/login required, turn captions ON
• Joaquin Barroso’s blog: Search bar bottom left
• Basis Set Exchange: Select elements from periodic table to get the formatted basis set
• ccRepo: Basis sets only. Must augment with appropriate Stuttgart/Koeln pseudopotentials for heavy atoms!
• Stuttgart/Koeln pseudopotentials: ECPs to use with cc basis sets for heavy atoms
• Our in-house snip.py: python 3.6 script for extracting useful values from .log files and dumping it into a .log.txt file. See also the snipsh bash script for running snip.py on multiple .log files. Both scripts should be placed in the folder that has the log files before executing. If running on Compute Canada clusters, load the python 3.6 module with "module load python/3.6" before executing snip.py.
• template.sh: A template .sh file (edit as indicated in the file) for ComputeCanada job submission. This .sh also automatically runs snip.py (if present in the folder) on the output file (highly recommended!)