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applications/science/chemistry

Showing entries 1-19 out of 19.

Molecule editor and visualizer
Molecule editor and visualizer
Draw chemical structures
Quantum chemistry and solid state physics program
d-SEAMS:
Arbitrary-order scalar-relativistic Douglas-Kroll-Hess module
The periodic table on the command line
Quantum chemistry program for large-scale self-consistent field calculations
Scanning probe microscopy data visualization and analysis
A Java 3D viewer for chemical structures
A chemical modelling, analysis and structure drawing program
Display and manipulate molecular structures
Real-space time dependent density-functional theory code
Advanced quantum chemistry software package
A Python-enhanced molecular graphics tool
Electronic-structure calculations and materials modeling at the nanoscale
Electronic-structure calculations and materials modeling at the nanoscale
A first-principles materials simulation code using DFT
A first-principles materials simulation code using DFT
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