| Many
properties of molecules can be predicted accurately with computer modeling.
Such computational chemistry allows chemists to predict the properties
and reactivity of molecules that would be impossible to measure experimentally.
Wherever feasible, experimentation is still needed to verify the validity
of computer models. Today, chemists realize that computer models
(theory) and experiments complement each other. Experimental results
help theoretical chemists develop better models. Theory guides chemists
towards experiments that will be most useful and helps interpret perplexing
experimental data. |
Instruments
and Facilities
Computational
Chemistry