Computational techniques for analytical chemistry and bioanalysis /
Computational techniques for analytical chemistry and bioanalysis /
edited by Philippe B. Wilson and Martin Grootveld.
- 1 online resource
- Theoretical and computational chemistry series ; no. 20 .
- RSC theoretical and computational chemistry series ; 20. .
Benita Percival, Miles Gibson, Justine Leenders, Philippe B. Wilson and Marting Grootveld -- Abril C. Castro and Marcel Swart -- Diego J. Alonso de Armi�no, Mariano C. Gonz�alez Lebrero, Dami�an A. Scherlis and Dar�io A. Estrin -- Piotr Paneth and Agnieszka Dybala-Defratyka -- Miles Gibson, Benita Percival, Martin Grootveld, Katy Woodason, Justine Leenders, Kingsley Nwosu, Shina Caroline Lynn Kamerlin and Phili[[e B. Wilson -- Antonio Franc�es-Monerris, Marco Marazzi, Vanessa Besancenot, St�ephanie Grandemange, Xavier Assfeld and Antonio Monari -- Lucie Delemotte -- Estelina Lora da Silva, Sandra Galmarini, Lionel Maurizi, Mario Jorge Cesar dos Santos, Tao Yang, David J. Cooke and Marco Molinari -- Inocencio Mart�in, Leo Martin, Anwesha Das, Martin Grootveld, Valentin Radu, Melissa L. Mather and Philippe B. Wilson. Univariate and Multivariate Statistical Approaches to the Analysis and Interpretation of NMR-based Metabolomics Datasets of Increasing Complexity / Recent advances in Computational NMR Spectrum Prediction / Computational Vibrational Spectroscopy : A Contemporary Perspective / Isotope Effects as Analytical Probes : Applications of Computational Theory / Applications of Computational Intelligence Techniques in Chemical and Biochemical Analysis / Computational Spectroscopy and Photophysics in Complex Biological Systems : Towards an In Silico Photobiology / Bridging the Gap Between Atomistic Molecular Dynamics Simulations and Wet-lab Experimental Techniques : Applications to Membrane Proteins / Solid State Chemistry : Computational Chemical Analysis for Materials Science / Electron Spin Resonance for the Detection of Paramagnetic Species : From Fundamentals to Computational Methods for Simulation and Interpretation /
This work will serve as a definitive overview of the field of computational simulation as applied to analytical chemistry and biology, drawing on recent advances as well as describing essential, established theory for graduates and postgraduate researchers.
9781788019859 1788019857 9781788015882 1788015886
5374:5223 Royal Society of Chemistry http://www.rsc.org/spr
Analytical chemistry--Data processing.
Analytical chemistry--Computer simulation.
Analytical chemistry--Mathematical models.
Chimie analytique--Informatique.
Chimie analytique--Simulation par ordinateur.
Chimie analytique--Mod�eles math�ematiques.
Analytical chemistry--Data processing
QD75.4.E4 / C66 2021
543.0285
Benita Percival, Miles Gibson, Justine Leenders, Philippe B. Wilson and Marting Grootveld -- Abril C. Castro and Marcel Swart -- Diego J. Alonso de Armi�no, Mariano C. Gonz�alez Lebrero, Dami�an A. Scherlis and Dar�io A. Estrin -- Piotr Paneth and Agnieszka Dybala-Defratyka -- Miles Gibson, Benita Percival, Martin Grootveld, Katy Woodason, Justine Leenders, Kingsley Nwosu, Shina Caroline Lynn Kamerlin and Phili[[e B. Wilson -- Antonio Franc�es-Monerris, Marco Marazzi, Vanessa Besancenot, St�ephanie Grandemange, Xavier Assfeld and Antonio Monari -- Lucie Delemotte -- Estelina Lora da Silva, Sandra Galmarini, Lionel Maurizi, Mario Jorge Cesar dos Santos, Tao Yang, David J. Cooke and Marco Molinari -- Inocencio Mart�in, Leo Martin, Anwesha Das, Martin Grootveld, Valentin Radu, Melissa L. Mather and Philippe B. Wilson. Univariate and Multivariate Statistical Approaches to the Analysis and Interpretation of NMR-based Metabolomics Datasets of Increasing Complexity / Recent advances in Computational NMR Spectrum Prediction / Computational Vibrational Spectroscopy : A Contemporary Perspective / Isotope Effects as Analytical Probes : Applications of Computational Theory / Applications of Computational Intelligence Techniques in Chemical and Biochemical Analysis / Computational Spectroscopy and Photophysics in Complex Biological Systems : Towards an In Silico Photobiology / Bridging the Gap Between Atomistic Molecular Dynamics Simulations and Wet-lab Experimental Techniques : Applications to Membrane Proteins / Solid State Chemistry : Computational Chemical Analysis for Materials Science / Electron Spin Resonance for the Detection of Paramagnetic Species : From Fundamentals to Computational Methods for Simulation and Interpretation /
This work will serve as a definitive overview of the field of computational simulation as applied to analytical chemistry and biology, drawing on recent advances as well as describing essential, established theory for graduates and postgraduate researchers.
9781788019859 1788019857 9781788015882 1788015886
5374:5223 Royal Society of Chemistry http://www.rsc.org/spr
Analytical chemistry--Data processing.
Analytical chemistry--Computer simulation.
Analytical chemistry--Mathematical models.
Chimie analytique--Informatique.
Chimie analytique--Simulation par ordinateur.
Chimie analytique--Mod�eles math�ematiques.
Analytical chemistry--Data processing
QD75.4.E4 / C66 2021
543.0285