Quantification of mixtures of analogues of illicit substances by benchtop NMR spectroscopy - ScienceDirect
An initial investigation of accuracy required for the identification of small molecules in complex samples using quantum chemical calculated NMR chemical shifts | Journal of Cheminformatics | Full Text
Rapid characterization of cocaine in illicit drug samples by 1D and 2D NMR spectroscopy | SpringerLink
NMR spectroscopy: quantum‐chemical calculations - Bühl - 2011 - WIREs Computational Molecular Science - Wiley Online Library
Accurate prediction of terahertz spectra of molecular crystals of fentanyl and its analogs | Scientific Reports
Protein conformational flexibility modulates kinetics and thermodynamics of drug binding | Nature Communications
Evolution of Quantitative Measures in NMR: Quantum Mechanical qHNMR Advances Chemical Standardization of a Red Clover (Trifolium pratense) Extract | Journal of Natural Products
Host-guest liquid gating mechanism with specific recognition interface behavior for universal quantitative chemical detection | Nature Communications
Molecules | Free Full-Text | Economical Synthesis of 13C-Labeled Opiates, Cocaine Derivatives and Selected Urinary Metabolites by Derivatization of the Natural Products
The ¹H NMR spectra of S1, heroin, and acetylcodeine. | Download Scientific Diagram
Magnetochemistry | Free Full-Text | The Study of Structural Features of N- and O-Derivatives of 4,5-Dihydroxyimidazolidine-2-Thione by NMR Spectroscopy and Quantum Chemical Calculations
Quantification of mixtures of analogues of illicit substances by benchtop NMR spectroscopy - ScienceDirect
Benchmark Study on the Calculation of 119Sn NMR Chemical Shifts | Inorganic Chemistry
An initial investigation of accuracy required for the identification of small molecules in complex samples using quantum chemical calculated NMR chemical shifts | Journal of Cheminformatics | Full Text
De Novo Determination of the Crystal Structure of a Large Drug Molecule by Crystal Structure Prediction-Based Powder NMR Crystallography | Journal of the American Chemical Society
Quantum-Chemical Simulation of 1H NMR Spectra. 2. Comparison of DFT-Based Procedures for Computing Proton–Proton Coupling Constants in Organic Molecules | The Journal of Organic Chemistry
13 C solid state NMR spectrum of ephedrine P HCl. | Download Scientific Diagram
Molecules | Free Full-Text | Modern Approaches in the Discovery and Development of Plant-Based Natural Products and Their Analogues as Potential Therapeutic Agents
NMR-Based Quantum Mechanical Analysis Builds Trust and Orthogonality in Structural Analysis: The Case of a Bisdesmosidic Triglycoside as Withania somnifera Aerial Parts Marker | Journal of Natural Products
Quantum Chemical Approaches to the Calculation of NMR Parameters: From Fundamentals to Recent Advances
Frontiers | Tackling the Problem of Sensing Commonly Abused Drugs Through Nanomaterials and (Bio)Recognition Approaches
The 80 MHz ¹H NMR spectra of water and codeine. | Download Scientific Diagram
The Application of a Desktop NMR Spectrometer in Drug Analysis
Synthesis, Molecular Modeling Study, and Quantum-Chemical-Based Investigations of Isoindoline-1,3-diones as Antimycobacterial Agents | ACS Omega
Non-contact identification and differentiation of illicit drugs using fluorescent films | Nature Communications
Foods | Free Full-Text | Application of 13C Quantitative NMR Spectroscopy to Isotopic Analyses for Vanillin Authentication Source
