Education

Our interface is well-suited to chemical education. With a basic undergraduate knowledge of chemistry students will be able to collect self-consistent information about chemical structure and reactivity, interact graphically and spatially with molecules, view orbitals and charges and even design their own in silico experiments. ChemAlive can work with textbook publishers and educators to create tailored course content in the following ways:

Pre-computed interactive course content allowing calculation-free interaction with molecules in problem sets and text discussion
Interactive reaction mechanisms to visualize transition-states, intermediate relative energies, steric effects etc.
Open-ended advanced problem sets where students can plan their own in silico experiments
Resonance theory using modern valence bond theory methods to provide numbers for the importance of resonance structures
Molecular orbital theory and orbital tracking based on structural parameter scanning. How do orbitals change during intramolecular or intermolecular interactions?
pKa calculations using the method of linear regression and isodesmic relative free-energies in a variety of solvents. Can be used in conjunction with valence bond theory.