Computational Techniques for Analytical Chemistry and Bioanalysis

Part A: Theory: The Calculation of Molecular Properties Through Perturbation and/or Response Theory; Statistical Approaches to Complex Spectrum Interpretation; Recent Advances in Computational NMR Spectrum Prediction; Simulation of UV-Vis Spectroscopy; Vibrational Analysis: A Contemporary Perspective on an Established Field; Isotope Effects as Analytical Probes: Computational Theory; Part B: Applications: Applications of AI and Computational Intelligence in Chemical Analysis and Bioanalytical Chemistry; Theoretical Spectroscopy of Complex Systems; Molecular Dynamics and Associated Methods in Obtaining Experimentally Comparable Quantities; Solid State Chemistry: Computational Chemical Analysis for Materials Science

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• Química quântica e teórica
• Bioquímica
• Química analítica