Wolfram Research

Pitt Quantum Repository

The Pitt Quantum Repository is a database and website of molecular quantum calculations, including visualization

VEHICLe

virtual exploratory heterocyclic library

GDB-9 Database

Thermochemical properties for 133885 small organic molecules with up to nine atoms, not counting hydrogen

Sample Data: Formaldehyde Statistics

Formaldehyde concentration analysis obtained in a chemical experiment.

Sample Data: Stackloss Plant

Brownlee's stack loss plant data.

Sample Data: Puromycin Reaction Velocity

Velocities of enzymatic reactions with or without Puromycin.

Sample Data: Mercury Vapor Pressure

Relation of mercury vapor pressure vs temperature.

Sample Data: Cement Heat Evolution

Heat evolved by setting cements