Links

Calculations and modelling

Energy converter

Jerome Lacour energy/selectivity calculator

Spartan 2010 Manual

Guide to MM and QM calculations

Computational Chemistry Comparison and Benchmark Database

Thermochemistry

Alan Shusterman Lab

Other useful links

Phosphorus chemical shifts 1 (requires journal access)

Phosphorus chemical shifts 2 (requires journal access)

Goodman group experimental data checker

Bordwell pKa tables

IUPAC nomenclature “Gold Book”

Cambridge CSD (requires Nottingham IP address)

Reference resolver

Thermochemistry data

Named reactions organic-chemistry.org

Organic chemistry portal

Sigma Aldrich nomograph

Blogs

BRSM – excellent Organic Chemistry/Synthesis blog

Computational organic chemistry

Henry Rzepa

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