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Applied chemometrics for scientists [[electronic resource] /] / Richard G. Brereton
| Applied chemometrics for scientists [[electronic resource] /] / Richard G. Brereton |
| Autore | Brereton Richard G |
| Pubbl/distr/stampa | Chichester, England ; ; Hoboken, NJ, : John Wiley & Sons, c2007 |
| Descrizione fisica | 1 online resource (397 p.) |
| Disciplina |
542.30151
543.015195 |
| Soggetto topico |
Chemometrics
Chemistry, Analytic |
| Soggetto genere / forma | Electronic books. |
| ISBN |
1-280-83864-7
9786610838646 0-470-05778-5 0-470-05777-7 |
| Classificazione | 35.05 |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Applied Chemometrics for Scientists; Contents; Preface; 1 Introduction; 1.1 Development of Chemometrics; 1.1.1 Early Developments; 1.1.2 1980s and the Borderlines between Other Disciplines; 1.1.3 1990s and Problems of Intermediate Complexity; 1.1.4 Current Developments in Complex Problem Solving; 1.2 Application Areas; 1.3 How to Use this Book; 1.4 Literature and Other Sources of Information; References; 2 Experimental Design; 2.1 Why Design Experiments in Chemistry?; 2.2 Degrees of Freedom and Sources of Error; 2.3 Analysis of Variance and Interpretation of Errors
2.4 Matrices, Vectors and the Pseudoinverse2.5 Design Matrices; 2.6 Factorial Designs; 2.6.1 Extending the Number of Factors; 2.6.2 Extending the Number of Levels; 2.7 An Example of a Factorial Design; 2.8 Fractional Factorial Designs; 2.9 Plackett-Burman and Taguchi Designs; 2.10 The Application of a Plackett-Burman Design to the Screening of Factors Influencing a Chemical Reaction; 2.11 Central Composite Designs; 2.12 Mixture Designs; 2.12.1 Simplex Centroid Designs; 2.12.2 Simplex Lattice Designs; 2.12.3 Constrained Mixture Designs 2.13 A Four Component Mixture Design Used to Study Blending of Olive Oils2.14 Simplex Optimization; 2.15 Leverage and Confidence in Models; 2.16 Designs for Multivariate Calibration; References; 3 Statistical Concepts; 3.1 Statistics for Chemists; 3.2 Errors; 3.2.1 Sampling Errors; 3.2.2 Sample Preparation Errors; 3.2.3 Instrumental Noise; 3.2.4 Sources of Error; 3.3 Describing Data; 3.3.1 Descriptive Statistics; 3.3.2 Graphical Presentation; 3.3.3 Covariance and Correlation Coefficient; 3.4 The Normal Distribution; 3.4.1 Error Distributions; 3.4.2 Normal Distribution Functions and Tables 3.4.3 Applications3.5 Is a Distribution Normal?; 3.5.1 Cumulative Frequency; 3.5.2 Kolmogorov-Smirnov Test; 3.5.3 Consequences; 3.6 Hypothesis Tests; 3.7 Comparison of Means: the t-Test; 3.8 F-Test for Comparison of Variances; 3.9 Confidence in Linear Regression; 3.9.1 Linear Calibration; 3.9.2 Example; 3.9.3 Confidence of Prediction of Parameters; 3.10 More about Confidence; 3.10.1 Confidence in the Mean; 3.10.2 Confidence in the Standard Deviation; 3.11 Consequences of Outliers and How to Deal with Them; 3.12 Detection of Outliers; 3.12.1 Normal Distributions; 3.12.2 Linear Regression 3.12.3 Multivariate Calibration3.13 Shewhart Charts; 3.14 More about Control Charts; 3.14.1 Cusum Chart; 3.14.2 Range Chart; 3.14.3 Multivariate Statistical Process Control; References; 4 Sequential Methods; 4.1 Sequential Data; 4.2 Correlograms; 4.2.1 Auto-correlograms; 4.2.2 Cross-correlograms; 4.2.3 Multivariate Correlograms; 4.3 Linear Smoothing Functions and Filters; 4.4 Fourier Transforms; 4.5 Maximum Entropy and Bayesian Methods; 4.5.1 Bayes' Theorem; 4.5.2 Maximum Entropy; 4.5.3 Maximum Entropy and Modelling; 4.6 Fourier Filters; 4.7 Peakshapes in Chromatography and Spectroscopy 4.7.1 Principal Features |
| Record Nr. | UNINA-9910143727003321 |
Brereton Richard G
|
||
| Chichester, England ; ; Hoboken, NJ, : John Wiley & Sons, c2007 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Applied chemometrics for scientists [[electronic resource] /] / Richard G. Brereton
| Applied chemometrics for scientists [[electronic resource] /] / Richard G. Brereton |
| Autore | Brereton Richard G |
| Pubbl/distr/stampa | Chichester, England ; ; Hoboken, NJ, : John Wiley & Sons, c2007 |
| Descrizione fisica | 1 online resource (397 p.) |
| Disciplina |
542.30151
543.015195 |
| Soggetto topico |
Chemometrics
Chemistry, Analytic |
| ISBN |
1-280-83864-7
9786610838646 0-470-05778-5 0-470-05777-7 |
| Classificazione | 35.05 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Applied Chemometrics for Scientists; Contents; Preface; 1 Introduction; 1.1 Development of Chemometrics; 1.1.1 Early Developments; 1.1.2 1980s and the Borderlines between Other Disciplines; 1.1.3 1990s and Problems of Intermediate Complexity; 1.1.4 Current Developments in Complex Problem Solving; 1.2 Application Areas; 1.3 How to Use this Book; 1.4 Literature and Other Sources of Information; References; 2 Experimental Design; 2.1 Why Design Experiments in Chemistry?; 2.2 Degrees of Freedom and Sources of Error; 2.3 Analysis of Variance and Interpretation of Errors
2.4 Matrices, Vectors and the Pseudoinverse2.5 Design Matrices; 2.6 Factorial Designs; 2.6.1 Extending the Number of Factors; 2.6.2 Extending the Number of Levels; 2.7 An Example of a Factorial Design; 2.8 Fractional Factorial Designs; 2.9 Plackett-Burman and Taguchi Designs; 2.10 The Application of a Plackett-Burman Design to the Screening of Factors Influencing a Chemical Reaction; 2.11 Central Composite Designs; 2.12 Mixture Designs; 2.12.1 Simplex Centroid Designs; 2.12.2 Simplex Lattice Designs; 2.12.3 Constrained Mixture Designs 2.13 A Four Component Mixture Design Used to Study Blending of Olive Oils2.14 Simplex Optimization; 2.15 Leverage and Confidence in Models; 2.16 Designs for Multivariate Calibration; References; 3 Statistical Concepts; 3.1 Statistics for Chemists; 3.2 Errors; 3.2.1 Sampling Errors; 3.2.2 Sample Preparation Errors; 3.2.3 Instrumental Noise; 3.2.4 Sources of Error; 3.3 Describing Data; 3.3.1 Descriptive Statistics; 3.3.2 Graphical Presentation; 3.3.3 Covariance and Correlation Coefficient; 3.4 The Normal Distribution; 3.4.1 Error Distributions; 3.4.2 Normal Distribution Functions and Tables 3.4.3 Applications3.5 Is a Distribution Normal?; 3.5.1 Cumulative Frequency; 3.5.2 Kolmogorov-Smirnov Test; 3.5.3 Consequences; 3.6 Hypothesis Tests; 3.7 Comparison of Means: the t-Test; 3.8 F-Test for Comparison of Variances; 3.9 Confidence in Linear Regression; 3.9.1 Linear Calibration; 3.9.2 Example; 3.9.3 Confidence of Prediction of Parameters; 3.10 More about Confidence; 3.10.1 Confidence in the Mean; 3.10.2 Confidence in the Standard Deviation; 3.11 Consequences of Outliers and How to Deal with Them; 3.12 Detection of Outliers; 3.12.1 Normal Distributions; 3.12.2 Linear Regression 3.12.3 Multivariate Calibration3.13 Shewhart Charts; 3.14 More about Control Charts; 3.14.1 Cusum Chart; 3.14.2 Range Chart; 3.14.3 Multivariate Statistical Process Control; References; 4 Sequential Methods; 4.1 Sequential Data; 4.2 Correlograms; 4.2.1 Auto-correlograms; 4.2.2 Cross-correlograms; 4.2.3 Multivariate Correlograms; 4.3 Linear Smoothing Functions and Filters; 4.4 Fourier Transforms; 4.5 Maximum Entropy and Bayesian Methods; 4.5.1 Bayes' Theorem; 4.5.2 Maximum Entropy; 4.5.3 Maximum Entropy and Modelling; 4.6 Fourier Filters; 4.7 Peakshapes in Chromatography and Spectroscopy 4.7.1 Principal Features |
| Record Nr. | UNINA-9910830136003321 |
|
Brereton Richard G
|
||
| Chichester, England ; ; Hoboken, NJ, : John Wiley & Sons, c2007 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Applied chemometrics for scientists / / Richard G. Brereton
| Applied chemometrics for scientists / / Richard G. Brereton |
| Autore | Brereton Richard G |
| Pubbl/distr/stampa | Chichester, England ; ; Hoboken, NJ, : John Wiley & Sons, c2007 |
| Descrizione fisica | 1 online resource (397 p.) |
| Disciplina |
542.30151
543.015195 |
| Soggetto topico |
Chemometrics
Chemistry, Analytic |
| ISBN |
1-280-83864-7
9786610838646 0-470-05778-5 0-470-05777-7 |
| Classificazione | 35.05 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Applied Chemometrics for Scientists; Contents; Preface; 1 Introduction; 1.1 Development of Chemometrics; 1.1.1 Early Developments; 1.1.2 1980s and the Borderlines between Other Disciplines; 1.1.3 1990s and Problems of Intermediate Complexity; 1.1.4 Current Developments in Complex Problem Solving; 1.2 Application Areas; 1.3 How to Use this Book; 1.4 Literature and Other Sources of Information; References; 2 Experimental Design; 2.1 Why Design Experiments in Chemistry?; 2.2 Degrees of Freedom and Sources of Error; 2.3 Analysis of Variance and Interpretation of Errors
2.4 Matrices, Vectors and the Pseudoinverse2.5 Design Matrices; 2.6 Factorial Designs; 2.6.1 Extending the Number of Factors; 2.6.2 Extending the Number of Levels; 2.7 An Example of a Factorial Design; 2.8 Fractional Factorial Designs; 2.9 Plackett-Burman and Taguchi Designs; 2.10 The Application of a Plackett-Burman Design to the Screening of Factors Influencing a Chemical Reaction; 2.11 Central Composite Designs; 2.12 Mixture Designs; 2.12.1 Simplex Centroid Designs; 2.12.2 Simplex Lattice Designs; 2.12.3 Constrained Mixture Designs 2.13 A Four Component Mixture Design Used to Study Blending of Olive Oils2.14 Simplex Optimization; 2.15 Leverage and Confidence in Models; 2.16 Designs for Multivariate Calibration; References; 3 Statistical Concepts; 3.1 Statistics for Chemists; 3.2 Errors; 3.2.1 Sampling Errors; 3.2.2 Sample Preparation Errors; 3.2.3 Instrumental Noise; 3.2.4 Sources of Error; 3.3 Describing Data; 3.3.1 Descriptive Statistics; 3.3.2 Graphical Presentation; 3.3.3 Covariance and Correlation Coefficient; 3.4 The Normal Distribution; 3.4.1 Error Distributions; 3.4.2 Normal Distribution Functions and Tables 3.4.3 Applications3.5 Is a Distribution Normal?; 3.5.1 Cumulative Frequency; 3.5.2 Kolmogorov-Smirnov Test; 3.5.3 Consequences; 3.6 Hypothesis Tests; 3.7 Comparison of Means: the t-Test; 3.8 F-Test for Comparison of Variances; 3.9 Confidence in Linear Regression; 3.9.1 Linear Calibration; 3.9.2 Example; 3.9.3 Confidence of Prediction of Parameters; 3.10 More about Confidence; 3.10.1 Confidence in the Mean; 3.10.2 Confidence in the Standard Deviation; 3.11 Consequences of Outliers and How to Deal with Them; 3.12 Detection of Outliers; 3.12.1 Normal Distributions; 3.12.2 Linear Regression 3.12.3 Multivariate Calibration3.13 Shewhart Charts; 3.14 More about Control Charts; 3.14.1 Cusum Chart; 3.14.2 Range Chart; 3.14.3 Multivariate Statistical Process Control; References; 4 Sequential Methods; 4.1 Sequential Data; 4.2 Correlograms; 4.2.1 Auto-correlograms; 4.2.2 Cross-correlograms; 4.2.3 Multivariate Correlograms; 4.3 Linear Smoothing Functions and Filters; 4.4 Fourier Transforms; 4.5 Maximum Entropy and Bayesian Methods; 4.5.1 Bayes' Theorem; 4.5.2 Maximum Entropy; 4.5.3 Maximum Entropy and Modelling; 4.6 Fourier Filters; 4.7 Peakshapes in Chromatography and Spectroscopy 4.7.1 Principal Features |
| Record Nr. | UNINA-9910876853903321 |
|
Brereton Richard G
|
||
| Chichester, England ; ; Hoboken, NJ, : John Wiley & Sons, c2007 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Stochastic processes in physics and chemistry [[electronic resource] /] / N.G. van Kampen
| Stochastic processes in physics and chemistry [[electronic resource] /] / N.G. van Kampen |
| Autore | Kampen N. G. van |
| Edizione | [3rd ed.] |
| Pubbl/distr/stampa | Amsterdam ; ; London, : Elsevier, 2007 |
| Descrizione fisica | 1 online resource (481 p.) |
| Disciplina | 519.202453 |
| Collana | North-Holland personal library |
| Soggetto topico |
Stochastic processes
Statistical physics Chemistry, Physical and theoretical - Statistical methods |
| ISBN |
1-281-00388-3
9786611003883 0-08-047536-1 |
| Classificazione |
33.26
35.05 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Front Cover; Stochastic Processes in Physics and Chemistry; Copyright Page; PREFACE TO THE FIRST EDITION; PREFACE TO THE SECOND EDITION; ABBREVIATED REFERENCES; PREFACE TO THE THIRD EDITION; TABLE OF CONTENTS; Chapter I. STOCHASTIC VARIABLES; 1. Definition; 2. Averages; 3. Multivariate distributions; 4. Addition of stochastic variables; 5. Transformation of variables; 6. The Gaussian distribution; 7. The central limit theorem; Chapter II. RANDOM EVENTS; 1. Definition; 2. The Poisson distribution; 3. Alternative description of random events; 4. The inverse formula; 5. The correlation functions
6. Waiting times7. Factorial correlation functions; Chapter III. STOCHASTIC PROCESSES; 1. Definition; 2. Stochastic processes in physics; 3. Fourier transformation of stationary processes; 4. The hierarchy of distribution functions; 5. The vibrating string and random fields; 6. Branching processes; Chapter IV. MARKOV PROCESSES; 1. The Markov property; 2. The Chapman-Kolmogorov equation; 3. Stationary Markov processes; 4. The extraction of a subensemble; 5. Markov chains; 6. The decay process; Chapter V. THE MASTER EQUATION; 1. Derivation; 2. The class of W-matrices; 3. The long-time limit 4. Closed, isolated, physical systems5. The increase of entropy; 6. Proof of detailed balance; 7. Expansion in eigenfunctions; 8. The macroscopic equation; 9. The adjoint equation; 10. Other equations related to the master equation; Chapter VI. ONE-STEP PROCESSES; 1. Definition; the Poisson process; 2. Random walk with continuous time; 3. General properties of one-step processes; 4. Examples of linear one-step processes; 5. Natural boundaries; 6. Solution of linear one-step processes with natural boundaries; 7. Artificial boundaries; 8. Artificial boundaries and normal modes 9. Nonlinear one-step processesChapter VII. CHEMICAL REACTIONS; 1. Kinematics of chemical reactions; 2. Dynamics of chemical reactions; 3. The stationary solution; 4. Open systems; 5. Unimolecular reactions; 6. Collective systems; 7. Composite Markov processes; Chapter VIII. THE FOKKER-PLANCK EQUATION; 1. Introduction; 2. Derivation of the Fokker-Planck equation; 3. Brownian motion; 4. The Rayleigh particle; 5. Application to one-step processes; 6. The multivariate Fokker-PIanck equation; 7. Kramers' equation; Chapter IX. THE LANGEVIN APPROACH; 1. Langevin treatment of Brownian motion 2. Applications3. Relation to Fokker-Planck equation; 4. The Langevin approach; 5. Discussion of the Itô-Stratonovich dilemma; 6. Non-Gaussian white noise; 7. Colored noise; Chapter X. THE EXPANSION OF THE MASTER EQUATION; 1. Introduction to the expansion; 2. General formulation of the expansion method; 3. The emergence of the macroscopic law; 4. The linear noise approximation; 5. Expansion of a multivariate master equation; 6. Higher orders; Chapter XI. THE DIFFUSION TYPE; 1. Master equations of diffusion type; 2. Diffusion in an external field; 3. Diffusion in an inhomogeneous medium 4. Muitivariate diffusion equation |
| Record Nr. | UNINA-9910784594003321 |
|
Kampen N. G. van
|
||
| Amsterdam ; ; London, : Elsevier, 2007 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Stochastic processes in physics and chemistry / / N.G. van Kampen
| Stochastic processes in physics and chemistry / / N.G. van Kampen |
| Autore | Kampen N. G. van |
| Edizione | [3rd ed.] |
| Pubbl/distr/stampa | Amsterdam ; ; London, : Elsevier, 2007 |
| Descrizione fisica | 1 online resource (481 p.) |
| Disciplina | 519.202453 |
| Collana | North-Holland personal library |
| Soggetto topico |
Stochastic processes
Statistical physics Chemistry, Physical and theoretical - Statistical methods |
| ISBN |
1-281-00388-3
9786611003883 0-08-047536-1 |
| Classificazione |
33.26
35.05 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Front Cover; Stochastic Processes in Physics and Chemistry; Copyright Page; PREFACE TO THE FIRST EDITION; PREFACE TO THE SECOND EDITION; ABBREVIATED REFERENCES; PREFACE TO THE THIRD EDITION; TABLE OF CONTENTS; Chapter I. STOCHASTIC VARIABLES; 1. Definition; 2. Averages; 3. Multivariate distributions; 4. Addition of stochastic variables; 5. Transformation of variables; 6. The Gaussian distribution; 7. The central limit theorem; Chapter II. RANDOM EVENTS; 1. Definition; 2. The Poisson distribution; 3. Alternative description of random events; 4. The inverse formula; 5. The correlation functions
6. Waiting times7. Factorial correlation functions; Chapter III. STOCHASTIC PROCESSES; 1. Definition; 2. Stochastic processes in physics; 3. Fourier transformation of stationary processes; 4. The hierarchy of distribution functions; 5. The vibrating string and random fields; 6. Branching processes; Chapter IV. MARKOV PROCESSES; 1. The Markov property; 2. The Chapman-Kolmogorov equation; 3. Stationary Markov processes; 4. The extraction of a subensemble; 5. Markov chains; 6. The decay process; Chapter V. THE MASTER EQUATION; 1. Derivation; 2. The class of W-matrices; 3. The long-time limit 4. Closed, isolated, physical systems5. The increase of entropy; 6. Proof of detailed balance; 7. Expansion in eigenfunctions; 8. The macroscopic equation; 9. The adjoint equation; 10. Other equations related to the master equation; Chapter VI. ONE-STEP PROCESSES; 1. Definition; the Poisson process; 2. Random walk with continuous time; 3. General properties of one-step processes; 4. Examples of linear one-step processes; 5. Natural boundaries; 6. Solution of linear one-step processes with natural boundaries; 7. Artificial boundaries; 8. Artificial boundaries and normal modes 9. Nonlinear one-step processesChapter VII. CHEMICAL REACTIONS; 1. Kinematics of chemical reactions; 2. Dynamics of chemical reactions; 3. The stationary solution; 4. Open systems; 5. Unimolecular reactions; 6. Collective systems; 7. Composite Markov processes; Chapter VIII. THE FOKKER-PLANCK EQUATION; 1. Introduction; 2. Derivation of the Fokker-Planck equation; 3. Brownian motion; 4. The Rayleigh particle; 5. Application to one-step processes; 6. The multivariate Fokker-PIanck equation; 7. Kramers' equation; Chapter IX. THE LANGEVIN APPROACH; 1. Langevin treatment of Brownian motion 2. Applications3. Relation to Fokker-Planck equation; 4. The Langevin approach; 5. Discussion of the Itô-Stratonovich dilemma; 6. Non-Gaussian white noise; 7. Colored noise; Chapter X. THE EXPANSION OF THE MASTER EQUATION; 1. Introduction to the expansion; 2. General formulation of the expansion method; 3. The emergence of the macroscopic law; 4. The linear noise approximation; 5. Expansion of a multivariate master equation; 6. Higher orders; Chapter XI. THE DIFFUSION TYPE; 1. Master equations of diffusion type; 2. Diffusion in an external field; 3. Diffusion in an inhomogeneous medium 4. Muitivariate diffusion equation |
| Record Nr. | UNINA-9910811350603321 |
|
Kampen N. G. van
|
||
| Amsterdam ; ; London, : Elsevier, 2007 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||