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Analytical Letters Volume 41, 2008 - Issue 18
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SENSORS

Search for Receptor Groups for Use in Chemical Gas Sensors

Fedor Dultsev Institute of Semiconductor Physics, Novosibirsk, RussiaCorrespondence[email protected]
Pages 3397-3410 | Received 28 Aug 2008, Accepted 07 Sep 2008, Published online: 04 Dec 2008
 
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Abstract

Search for functional groups as receptors for gas sensors is performed using semi-empirical methods MNDO/PM3 and molecular mechanics MM2. Several systems chosen on the basis of calculation results are tested experimentally. A good correspondence between the calculated and measured characteristics of adsorption complexes is demonstrated.

Notes

Note: * means absence of interaction.

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