Concepedia

Molecular modeling of polymer composite–analyte interactions in electronic nose sensors

Abhijit V. Shevade, M. A. Ryan, M. L. Homer, A. M. Manfreda, H. Zhou, K. Manatt

Sensors and Actuators B Chemical · 2003 · 90 citations · 12 references

DOI

Concepts

References

12

DREIDING: a generic force field for molecular simulations

Stephen L. Mayo, Barry D. Olafson, William A. Goddard · The Journal of Physical Chemistry · 1990 · 6.5K citations

, , +15

Charge equilibration for molecular dynamics simulations

Anthony K. Rappé, William A. Goddard · The Journal of Physical Chemistry · 1991 · 3.4K citations

, , +10

A chemically diverse conducting polymer-based "electronic nose".

Michael S. Freund, Nathan S. Lewis · Proceedings of the National Academy of Sciences · 1995 · 342 citations

, , +17

Volatiles as an indicator of fungal activity and differentiation between species, and the potential use of electronic nose technology for early detection of grain spoilage

Naresh Magan, Peter Evans · Journal of Stored Products Research · 2000 · 281 citations

, , +17

A cavity-biased (<i>T, V, μ</i>) Monte Carlo method for the computer simulation of fluids

Mihaly Mezei · Molecular Physics · 1980 · 243 citations

, , +14