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malý dunaj nájazd quantum chemical nmr calculations of selected illicit drugs chov zodpovednosť spočítať

Magnetochemistry | Free Full-Text | Quantitative NMR as a Versatile Tool  for the Reference Material Preparation
Magnetochemistry | Free Full-Text | Quantitative NMR as a Versatile Tool for the Reference Material Preparation

Rapid characterization of cocaine in illicit drug samples by 1D and 2D NMR  spectroscopy | SpringerLink
Rapid characterization of cocaine in illicit drug samples by 1D and 2D NMR spectroscopy | SpringerLink

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
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

Quantification of mixtures of analogues of illicit substances by benchtop  NMR spectroscopy - ScienceDirect
Quantification of mixtures of analogues of illicit substances by benchtop NMR spectroscopy - ScienceDirect

Quantification of mixtures of analogues of illicit substances by benchtop  NMR spectroscopy - ScienceDirect
Quantification of mixtures of analogues of illicit substances by benchtop NMR spectroscopy - ScienceDirect

Polymorphic Transformation of Drugs Induced by Glycopolymeric Vesicles  Designed for Anticancer Therapy Probed by Solid-State NMR Spectroscopy |  ACS Applied Materials & Interfaces
Polymorphic Transformation of Drugs Induced by Glycopolymeric Vesicles Designed for Anticancer Therapy Probed by Solid-State NMR Spectroscopy | ACS Applied Materials & Interfaces

Quantum Chemical Calculations of NMR Chemical Shifts in Phosphorylated  Intrinsically Disordered Proteins | Journal of Chemical Theory and  Computation
Quantum Chemical Calculations of NMR Chemical Shifts in Phosphorylated Intrinsically Disordered Proteins | Journal of Chemical Theory and Computation

13 C solid state NMR spectrum of ephedrine P HCl. | Download Scientific  Diagram
13 C solid state NMR spectrum of ephedrine P HCl. | Download Scientific Diagram

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
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

Non-contact identification and differentiation of illicit drugs using  fluorescent films | Nature Communications
Non-contact identification and differentiation of illicit drugs using fluorescent films | Nature Communications

The ¹H NMR spectra of S1, heroin, and acetylcodeine. | Download Scientific  Diagram
The ¹H NMR spectra of S1, heroin, and acetylcodeine. | Download Scientific Diagram

Quantification of mixtures of analogues of illicit substances by benchtop  NMR spectroscopy - ScienceDirect
Quantification of mixtures of analogues of illicit substances by benchtop NMR spectroscopy - ScienceDirect

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
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

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
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

Benchmark Study on the Calculation of 119Sn NMR Chemical Shifts | Inorganic  Chemistry
Benchmark Study on the Calculation of 119Sn NMR Chemical Shifts | Inorganic Chemistry

1 H quantitative NMR and UHPLC-MS analysis of seized MDMA/NPS mixtures and  tablets from night-club venues - Analytical Methods (RSC Publishing)  DOI:10.1039/C9AY01403A
1 H quantitative NMR and UHPLC-MS analysis of seized MDMA/NPS mixtures and tablets from night-club venues - Analytical Methods (RSC Publishing) DOI:10.1039/C9AY01403A

Chromogenic and Fluorogenic Probes for the Detection of Illicit Drugs -  Garrido - 2018 - ChemistryOpen - Wiley Online Library
Chromogenic and Fluorogenic Probes for the Detection of Illicit Drugs - Garrido - 2018 - ChemistryOpen - Wiley Online Library

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
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

The Application of a Desktop NMR Spectrometer in Drug Analysis
The Application of a Desktop NMR Spectrometer in Drug Analysis

NMR spectroscopy: quantum‐chemical calculations - Bühl - 2011 - WIREs  Computational Molecular Science - Wiley Online Library
NMR spectroscopy: quantum‐chemical calculations - Bühl - 2011 - WIREs Computational Molecular Science - Wiley Online Library

The 80 MHz ¹H NMR spectra of water and codeine. | Download Scientific  Diagram
The 80 MHz ¹H NMR spectra of water and codeine. | Download Scientific Diagram

Quantum Chemical Approaches to the Calculation of NMR Parameters: From  Fundamentals to Recent Advances
Quantum Chemical Approaches to the Calculation of NMR Parameters: From Fundamentals to Recent Advances

The application of empirical methods of 13C NMR chemical shift predic…
The application of empirical methods of 13C NMR chemical shift predic…

Molecules | Free Full-Text | Modern Approaches in the Discovery and  Development of Plant-Based Natural Products and Their Analogues as  Potential Therapeutic Agents
Molecules | Free Full-Text | Modern Approaches in the Discovery and Development of Plant-Based Natural Products and Their Analogues as Potential Therapeutic Agents

Structural characterisation of natural products by means of quantum  chemical calculations of NMR parameters: new insights - Organic Chemistry  Frontiers (RSC Publishing) DOI:10.1039/D1QO00034A
Structural characterisation of natural products by means of quantum chemical calculations of NMR parameters: new insights - Organic Chemistry Frontiers (RSC Publishing) DOI:10.1039/D1QO00034A

Quantification of mixtures of analogues of illicit substances by benchtop  NMR spectroscopy - ScienceDirect
Quantification of mixtures of analogues of illicit substances by benchtop NMR spectroscopy - ScienceDirect

Synthesis, Molecular Modeling Study, and Quantum-Chemical-Based  Investigations of Isoindoline-1,3-diones as Antimycobacterial Agents | ACS  Omega
Synthesis, Molecular Modeling Study, and Quantum-Chemical-Based Investigations of Isoindoline-1,3-diones as Antimycobacterial Agents | ACS Omega

Protein conformational flexibility modulates kinetics and thermodynamics of  drug binding | Nature Communications
Protein conformational flexibility modulates kinetics and thermodynamics of drug binding | Nature Communications

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
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