Computational Methods for Sensor Material Selection - Ryan, Margaret A.; Shevade, Abhijit V.; Taylor, Charles J.; Homer, M. L.; Blanco, Mario; Stetter, Joseph R.; SpringerLink (Online service) (New York, NY : Springer New York : Imprint: Springer, 2010)
First Principles Methods For Materials Evaluation -- Introduction: Experimental Methods in Chemical Sensor and Sensor Array Evaluation and Development -- Electromechanical and Chemical Sensing at the Nanoscale: DFT and Transport Modeling -- Quantum Mechanics and First-Principles Molecular Dynamics Selection of Polymer Sensing Materials -- Prediction of Quartz Crystal Microbalance Gas Sensor Responses Using Grand Canonical Monte Carlo Method -- Computer-Aided Design of Organic Host Architectures for Selective Chemosensors -- First Principles Molecular Modeling of Sensing Material Selection for Hybrid Biomimetic Nanosensors -- Statistical And Multivariate Methods For Materials Evaluation -- Development of New Sensing Materials Using Combinatorial and High-Throughput Experimentation -- Chemical Sensor Array Response Modeling Using Quantitative Structure-Activity Relationships Technique -- Design and Information Content of Arrays of Sorption-Based Vapor Sensors Using Solubility Interactions and Linear Solvation Energy Relationships -- Designing Sensing Arrays -- A Statistical Approach to Materials Evaluation and Selection for Chemical Sensor Arrays -- Statistical Methods for Selecting the Components of a Sensing Array -- Hybrid Arrays for Chemical Sensing -- Future Directions -- Future Directions.
Keywords: Analytical chemistry; Materials science; Chemoinformatics; Physical chemistry; Chemical engineering; Analytical Chemistry; Materials Science, general; Characterization and Evaluation of Materials; Computer Applications in Chemistry; Physical Chemistry; Industrial Chemistry/Chemical Engineering