
The objective of the course is to teach the basic aspects of nuclear magnetic resonance (NMR) spectroscopy, which is an important analytical tool in chemical and pharmaceutical industry for the structural characterization of molecules.

Explore glucose structure, configuration proof, and synthesis of unnatural products. Delve into historical developments and modern spectroscopic techniques in organic chemistry.

Explore oxidation states, spectroscopy, and reaction mechanisms in organic chemistry. Learn about carbon oxidation states and alcohol oxidation processes through practical examples and exam questions.

Explore advanced NMR concepts: higher-order effects, dynamics, and time scales. Learn about hybridization, spin-spin splitting, and spectral prediction for complex molecular structures.

Explore numerical finite difference approach for NMR shielding calculations using gauge-including atomic orbitals. Learn theory, implementation, and results with κ-MP2 and MP2.X methods in Q-Chem software.

Explore advanced spectrometric data analysis using Large Multimodal Models to identify complex organic compounds, focusing on (S)-ibuprofen ethylester as a case study.

Explore how Large Multimodal Models analyze chemical spectra to determine organic compounds, focusing on a groundbreaking study using GPT-based models to identify quinoline.

Explore computational metabolomics, combining metabolism and machine learning. Discover metabolite measurement, data analysis, and future directions in biomedical science.

Изучите основы ядерного магнитного резонанса, его принципы и применение в различных областях науки и техники.