000			04307nam a22005775i 4500
001			978-0-387-73715-7
003			DE-He213
005			20250710084018.0
007			cr nn 008mamaa
008			100301s2010 xxu| s |||| 0|eng d
020			_a9780387737157 _a99780387737157
024	7		_a10.1007/978-0-387-73715-7 _2doi
082	0	4	_a543 _223
100	1		_aRyan, Margaret A. _eeditor.
245	1	0	_aComputational Methods for Sensor Material Selection _h[recurso electrónico] / _cedited by Margaret A. Ryan, Abhijit V. Shevade, Charles J. Taylor, M. L. Homer, Mario Blanco, Joseph R. Stetter.
264		1	_aNew York, NY : _bSpringer US, _c2010.
300			_aXV, 319p. 134 illus. _bonline resource.
336			_atext _btxt _2rdacontent
337			_acomputer _bc _2rdamedia
338			_arecurso en línea _bcr _2rdacarrier
347			_atext file _bPDF _2rda
490	1		_aIntegrated Analytical Systems
505	0		_aFirst 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.
520			_aIn Computational Methods for Sensor Material Selection, experts discuss the design and selection of active sensing surfaces for chemical sensors, particularly sensors used in vapor sensing arrays or electronic noses. Part I covers first principles. Part II focuses on identifying and evaluating candidate sensing materials and covers such topics as calculations of sensor-analyte interactions, statistical and semi-empirical methods based on characteristics of sensing material and analyte, and new experimental methods. Part III advises on selecting materials for inclusion in arrays by use of statistical methods and algorithm-based methods for evaluating the array response to target analytes. This book will appeal to researchers in academia and industry involved in chemical vapor sensing and monitoring. Also, it will be of special interest to those who are developing devices based on chemical sensing arrays.
650		0	_aCHEMISTRY.
650		0	_aANALYTICAL BIOCHEMISTRY.
650		0	_aCHEMISTRY, PHYSICAL ORGANIC.
650		0	_aCHEMICAL ENGINEERING.
650		0	_aMATERIALS.
650		0	_aSURFACES (PHYSICS).
650	1	4	_aCHEMISTRY.
650	2	4	_aANALYTICAL CHEMISTRY.
650	2	4	_aMATERIALS SCIENCE, GENERAL.
650	2	4	_aCHARACTERIZATION AND EVALUATION OF MATERIALS.
650	2	4	_aCOMPUTER APPLICATIONS IN CHEMISTRY.
650	2	4	_aPHYSICAL CHEMISTRY.
650	2	4	_aINDUSTRIAL CHEMISTRY/CHEMICAL ENGINEERING.
700	1		_aShevade, Abhijit V. _eeditor.
700	1		_aTaylor, Charles J. _eeditor.
700	1		_aHomer, M. L. _eeditor.
700	1		_aBlanco, Mario. _eeditor.
700	1		_aStetter, Joseph R. _eeditor.
710	2		_aSpringerLink (Online service)
773	0		_tSpringer eBooks
776	0	8	_iPrinted edition: _z9780387737140
830		0	_aIntegrated Analytical Systems
856	4	0	_uhttp://dx.doi.org/10.1007/978-0-387-73715-7 _zVer el texto completo en las instalaciones del CICY
912			_aZDB-2-CMS
942			_2ddc _cER
999			_c58504 _d58504