Wolfram Computation Meets Knowledge

Pitt Quantum Repository

Database of molecular quantum calculations

Sample Data: Formaldehyde Statistics

Formaldehyde concentration analysis

Sample Data: Mercury Vapor Pressure

Relation of mercury vapor pressure vs temperature

Sample Data: Puromycin Reaction Velocity

Velocities of enzymatic reactions with or without Puromycin

GDB-9 Database

Database of molecular quantum calculations


Heteroaromatic Rings of the Future

Sample Data: Stackloss Plant

Brownlee's stack loss plant data

Sample Data: Cement Heat Evolution

Heat evolved by setting cements