Theoretical and Computational Chemistry Series - Computational Techniques for Analytical Chemistry and Bioanalysis
Latest Publications

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(FIVE YEARS 14)

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(FIVE YEARS 0)

Published By Royal Society Of Chemistry

9781788014618

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Preface

Theoretical and Computational Chemistry Series - Computational Techniques for Analytical Chemistry and Bioanalysis ◽

10.1039/9781788015882-fp008 ◽

2020 ◽

pp. P008-P010

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Chapter 9. Electron Spin Resonance for the Detection of Paramagnetic Species: From Fundamentals to Computational Methods for Simulation and Interpretation

Theoretical and Computational Chemistry Series - Computational Techniques for Analytical Chemistry and Bioanalysis ◽

10.1039/9781788015882-00335 ◽

2020 ◽

pp. 335-361

Author(s):

Inocencio Martín ◽

Leo Martin ◽

Anwesha Das ◽

Martin Grootveld ◽

Valentin Radu ◽

...

Keyword(s):

Electron Spin Resonance ◽

Computational Methods ◽

Electron Spin ◽

Paramagnetic Species ◽

Spin Resonance

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Chapter 7. Bridging the Gap Between Atomistic Molecular Dynamics Simulations and Wet-lab Experimental Techniques: Applications to Membrane Proteins

Theoretical and Computational Chemistry Series - Computational Techniques for Analytical Chemistry and Bioanalysis ◽

10.1039/9781788015882-00247 ◽

2020 ◽

pp. 247-286

Author(s):

Lucie Delemotte

Keyword(s):

Molecular Dynamics ◽

Membrane Proteins ◽

Molecular Dynamics Simulations ◽

Experimental Techniques ◽

Wet Lab ◽

Dynamics Simulations

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Front Matter

Theoretical and Computational Chemistry Series - Computational Techniques for Analytical Chemistry and Bioanalysis ◽

10.1039/9781788015882-fp001 ◽

2020 ◽

pp. P001-P006

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Chapter 3. Computational Vibrational Spectroscopy: A Contemporary Perspective

Theoretical and Computational Chemistry Series - Computational Techniques for Analytical Chemistry and Bioanalysis ◽

10.1039/9781788015882-00069 ◽

2020 ◽

pp. 69-124

Author(s):

Diego J. Alonso de Armiño ◽

Mariano C. González Lebrero ◽

Damián A. Scherlis ◽

Darío A. Estrin

Keyword(s):

Vibrational Spectroscopy ◽

Contemporary Perspective

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Chapter 1. Univariate and Multivariate Statistical Approaches to the Analysis and Interpretation of NMR-based Metabolomics Datasets of Increasing Complexity

Theoretical and Computational Chemistry Series - Computational Techniques for Analytical Chemistry and Bioanalysis ◽

10.1039/9781788015882-00001 ◽

2020 ◽

pp. 1-40

Author(s):

Benita Percival ◽

Miles Gibson ◽

Justine Leenders ◽

Philippe B. Wilson ◽

Martin Grootveld

Keyword(s):

Multivariate Statistical ◽

Statistical Approaches

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Chapter 5. Applications of Computational Intelligence Techniques in Chemical and Biochemical Analysis

Theoretical and Computational Chemistry Series - Computational Techniques for Analytical Chemistry and Bioanalysis ◽

10.1039/9781788015882-00155 ◽

2020 ◽

pp. 155-201

Author(s):

Miles Gibson ◽

Benita Percival ◽

Martin Grootveld ◽

Katy Woodason ◽

Justine Leenders ◽

...

Keyword(s):

Computational Intelligence ◽

Biochemical Analysis

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Chapter 4. Isotope Effects as Analytical Probes: Applications of Computational Theory

Theoretical and Computational Chemistry Series - Computational Techniques for Analytical Chemistry and Bioanalysis ◽

10.1039/9781788015882-00125 ◽

2020 ◽

pp. 125-154

Author(s):

Piotr Paneth ◽

Agnieszka Dybala-Defratyka

Keyword(s):

Isotope Effects ◽

Computational Theory

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Chapter 8. Solid State Chemistry: Computational Chemical Analysis for Materials Science

Theoretical and Computational Chemistry Series - Computational Techniques for Analytical Chemistry and Bioanalysis ◽

10.1039/9781788015882-00287 ◽

2020 ◽

pp. 287-334

Author(s):

Estelina Lora da Silva ◽

Sandra Galmarini ◽

Lionel Maurizi ◽

Mario Jorge Cesar dos Santos ◽

Tao Yang ◽

...

Keyword(s):

Solid State ◽

Chemical Analysis ◽

Materials Science ◽

Solid State Chemistry

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Theoretical and Computational Chemistry Series - Computational Techniques for Analytical Chemistry and Bioanalysis ◽

10.1039/9781788015882-fp011 ◽

2020 ◽

pp. P011-P016

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Theoretical and Computational Chemistry Series - Computational Techniques for Analytical Chemistry and Bioanalysis
Latest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Royal Society Of Chemistry

Preface

Chapter 9. Electron Spin Resonance for the Detection of Paramagnetic Species: From Fundamentals to Computational Methods for Simulation and Interpretation

Chapter 7. Bridging the Gap Between Atomistic Molecular Dynamics Simulations and Wet-lab Experimental Techniques: Applications to Membrane Proteins

Front Matter

Chapter 3. Computational Vibrational Spectroscopy: A Contemporary Perspective

Chapter 1. Univariate and Multivariate Statistical Approaches to the Analysis and Interpretation of NMR-based Metabolomics Datasets of Increasing Complexity

Chapter 5. Applications of Computational Intelligence Techniques in Chemical and Biochemical Analysis

Chapter 4. Isotope Effects as Analytical Probes: Applications of Computational Theory

Chapter 8. Solid State Chemistry: Computational Chemical Analysis for Materials Science

Contents

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Theoretical and Computational Chemistry Series - Computational Techniques for Analytical Chemistry and BioanalysisLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Royal Society Of Chemistry

Preface

Chapter 9. Electron Spin Resonance for the Detection of Paramagnetic Species: From Fundamentals to Computational Methods for Simulation and Interpretation

Chapter 7. Bridging the Gap Between Atomistic Molecular Dynamics Simulations and Wet-lab Experimental Techniques: Applications to Membrane Proteins

Front Matter

Chapter 3. Computational Vibrational Spectroscopy: A Contemporary Perspective

Chapter 1. Univariate and Multivariate Statistical Approaches to the Analysis and Interpretation of NMR-based Metabolomics Datasets of Increasing Complexity

Chapter 5. Applications of Computational Intelligence Techniques in Chemical and Biochemical Analysis

Chapter 4. Isotope Effects as Analytical Probes: Applications of Computational Theory

Chapter 8. Solid State Chemistry: Computational Chemical Analysis for Materials Science

Contents

Theoretical and Computational Chemistry Series - Computational Techniques for Analytical Chemistry and Bioanalysis
Latest Publications