Calculating NMR shifts – Short and Long Ways – Dr. Joaquin Barroso's Blog
15N NMR Spectroscopy, X-ray and Neutron Diffraction, Quantum-Chemical Calculations, and UV/vis-Spectrophotometric Titrations as Complementary Techniques for the Analysis of Pyridine-Supported Bicyclic Guanidine Superbases | The Journal of Organic Chemistry
Quantum chemical calculations of 31P NMR chemical shifts: scopes and limitations - Physical Chemistry Chemical Physics (RSC Publishing)
DFT calculations of 1H- and 13C-NMR chemical shifts of 3-methyl-1-phenyl-4-(phenyldiazenyl)-1H-pyrazol-5-amine in solution | Scientific Reports
Carbon-13 NMR Chemical Shift: A Descriptor for Electronic Structure and Reactivity of Organometallic Compounds – Copéret Group | ETH Zurich
Conformations of oligoorganosilanes according to quantum chemical... | Download Table
PDF) Quantum-chemical calculations of NMR chemical shifts of organic molecules: XV. Relativistic calculations of 29Si NMR chemical shifts of silanes
PDF) Can quantum-chemical NMR chemical shifts be used as criterion for force-field development | Heiko Möller - Academia.edu
BJOC - Conformational study of L-methionine and L-cysteine derivatives through quantum chemical calculations and 3JHH coupling constant analyses
Principles of NMR - NMR Testing Laboratory
Quantum chemical calculation of 19F NMR chemical shifts of trifluoromethyl diazirine photoproducts and precursors - ScienceDirect
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
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
Projects | Martin Dračínský Group
An automated framework for NMR chemical shift calculations of small organic molecules | Journal of Cheminformatics | Full Text
Conformational analysis of small molecules: NMR and quantum mechanics calculations - ScienceDirect
Molecules | Free Full-Text | Hydrogen Atomic Positions of O–H···O Hydrogen Bonds in Solution and in the Solid State: The Synergy of Quantum Chemical Calculations with 1H-NMR Chemical Shifts and X-ray Diffraction
Program that automatically interprets NMR spectra is boon for structure elucidation | Research | Chemistry World
Experimental and computational analysis (DFT method) of some quinoxalinones and benzoxazinones: spectroscopic investigation (FT-IR, FT-Raman, UV-Vis, NMR) | SpringerLink
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 Calculation of 29Si NMR Spectrum of Silicon Dioxide Fullerene-Like Molecules | Semantic Scholar
A Comparative Quantum Chemical Study of a Novel Synthetic Prenylated Chalcone: High Accuracy of NMR C-13 GIAO-DFT Scaling Factor Calculations at the mPW91PW91/6-31G(d) Level of Theory - Centro de Desenvolvimento de Materiais
