TY  - BOOK
AU  - Wilson,Philippe B.
AU  - Grootveld,Martin
TI  - Computational techniques for analytical chemistry and bioanalysis
T2  - Theoretical and computational chemistry series
SN  - 9781788019859
AV  - QD75.4.E4 C66 2021
U1  - 543.0285 23
PY  - 2021///]
CY  - London
PB  - Royal Society of Chemistry
KW  - Analytical chemistry
KW  - Data processing
KW  - Computer simulation
KW  - Mathematical models
KW  - Chimie analytique
KW  - Informatique
KW  - Simulation par ordinateur
KW  - Mod�eles math�ematiques
KW  - fast
N1  - Univariate and Multivariate Statistical Approaches to the Analysis and Interpretation of NMR-based Metabolomics Datasets of Increasing Complexity; Benita Percival, Miles Gibson, Justine Leenders, Philippe B. Wilson and Marting Grootveld --; Recent advances in Computational NMR Spectrum Prediction; Abril C. Castro and Marcel Swart --; Computational Vibrational Spectroscopy : A Contemporary Perspective; Diego J. Alonso de Armi�no, Mariano C. Gonz�alez Lebrero, Dami�an A. Scherlis and Dar�io A. Estrin --; Isotope Effects as Analytical Probes : Applications of Computational Theory; Piotr Paneth and Agnieszka Dybala-Defratyka --; Applications of Computational Intelligence Techniques in Chemical and Biochemical Analysis; Miles Gibson, Benita Percival, Martin Grootveld, Katy Woodason, Justine Leenders, Kingsley Nwosu, Shina Caroline Lynn Kamerlin and Phili[[e B. Wilson --; Computational Spectroscopy and Photophysics in Complex Biological Systems : Towards an In Silico Photobiology; Antonio Franc�es-Monerris, Marco Marazzi, Vanessa Besancenot, St�ephanie Grandemange, Xavier Assfeld and Antonio Monari --; Bridging the Gap Between Atomistic Molecular Dynamics Simulations and Wet-lab Experimental Techniques : Applications to Membrane Proteins; Lucie Delemotte --; Solid State Chemistry : Computational Chemical Analysis for Materials Science; Estelina Lora da Silva, Sandra Galmarini, Lionel Maurizi, Mario Jorge Cesar dos Santos, Tao Yang, David J. Cooke and Marco Molinari --; Electron Spin Resonance for the Detection of Paramagnetic Species : From Fundamentals to Computational Methods for Simulation and Interpretation; Inocencio Mart�in, Leo Martin, Anwesha Das, Martin Grootveld, Valentin Radu, Melissa L. Mather and Philippe B. Wilson
N2  - 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
UR  - https://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&db=nlabk&AN=2705683
ER  -