Molcas: a program package for computational chemistry.

Chemistry

• Procedure 100%
• Computational Chemistry 100%
• Electronic State 100%
• Spectroscopy 50%
• Number 50%
• Excited State 50%
• Quantum Chemical Calculations 50%
• Optimization 50%
• Molecular Mechanic 50%
• Gas 50%
• Solid 50%
• Liquid 50%
• Crystalline Material 50%
• Equilibrium 50%
• Molecular Dynamics 50%
• Monte Carlo Method 50%
• Periodic System 50%
• Interfacial Energy 50%
• Quantum Chemistry 50%
• Transition State 50%
• Chemical Method 50%
• Excited Electronic State 50%
• Solvent Effect 50%

Material Science

• Electronic Structure 100%
• Gas 50%
• Solid 50%
• Liquid 50%
• Solvent 50%
• Crystalline Material 50%
• Chemical Processing 50%
• Surface Energy 50%
• Structural Property 50%

Engineering

• Electronics 100%
• Models 33%
• Intersections 33%
• Energy Surface 33%
• Geometry Optimization 33%
• Continuum Model 33%
• Liquid Gas 33%
• Excited State 33%
• Electronic State 33%
• Good Accuracy 33%
• Molecular Mechanics 33%
• Do Model 33%
• Periodic System 33%