5. Estimation of critical parameters
5.1 Molecules
The essential step in the process is the choice of explicit variables relevant to the prediction of the property of interest. We have opted for an initial set of six descriptors:
molecular volume (V m ) expressed in cubic centimetres per mole ;
polarizability (α ) expressed in atomic units ;
ionization potential (PI...
Exclusive to subscribers. 97% yet to be discovered!
Already subscribed? Log in!
Estimation of critical parameters
Conclusion
Bibliography
References
Exclusive to subscribers. 97% yet to be discovered!
Already subscribed? Log in!
Article included in this offer
"Physics and chemistry"
(
204 articles
)
Updated and enriched with articles validated by our scientific committees
A set of exclusive tools to complement the resources
