The optimal DFT approach in DP4 NMR structure analysis - pushing the limits of relative configuration elucidation

Kristaps Ermanis1, Kevin E B Parkes2, Tatiana Agback3

  • 1Centre for Molecular Science Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, UK. ke291@cam.ac.uk.

Related Concept Videos

Relation of DFT to z-Transform01:20

Relation of DFT to z-Transform

The Discrete Fourier Transform (DFT) is a crucial tool for analyzing the frequency content of discrete-time signals. It converts a sequence of N samples from the time domain into its corresponding sequence in the frequency domain, where each sample represents a specific frequency component.
To understand how the DFT works, it's helpful to consider the z-transform, which is a method for representing discrete sequences in the complex frequency domain. The z-transform involves summing the...
802
Electron Configuration of Multielectron Atoms03:26

Electron Configuration of Multielectron Atoms

The alkali metal sodium (atomic number 11) has one more electron than the neon atom. This electron must go into the lowest-energy subshell available, the 3s orbital, giving a 1s22s22p63s1 configuration. The electrons occupying the outermost shell orbital(s) (highest value of n) are called valence electrons, and those occupying the inner shell orbitals are called core electrons. Since the core electron shells correspond to noble gas electron configurations, we can abbreviate electron...
64.6K
Relative Motion Analysis - Acceleration01:10

Relative Motion Analysis - Acceleration

A slider-crank mechanism converts rotational motion from the crank into linear motion of the slider or vice versa. This mechanism consists of three main parts: the crank, the connecting rod, and the slider. The movement of the slider-crank is an example of general plane motion as the fluctuating angle between the crank and the connecting rod. Consider a segment AB where point A is at the end of the slider and point B is on the diametrically opposite end to point A, on a crack. The variance in...
847
Relative Motion Analysis - Velocity01:24

Relative Motion Analysis - Velocity

A stroke engine has a slider-crank mechanism that converts rotational motion from the crank into linear motion of the slider or vice versa. This mechanism consists of three main parts: the crank, the connecting rod, and the slider.
When an external force is exerted, it sets the crank into a rotational movement. This, in turn, instigates the motion of the connecting rod, leading to what is referred to as a general plane motion. This process involves two key points - point A on the connecting rod...
716
Electron Configurations02:46

Electron Configurations

Electron configurations and orbital diagrams can be determined by applying the Aufbau principle (each added electron occupies the subshell of lowest energy available), Pauli exclusion principle (no two electrons can have the same set of four quantum numbers), and Hund’s rule of maximum multiplicity (whenever possible, electrons retain unpaired spins in degenerate orbitals).
The relative energies of the subshells determine the order in which atomic orbitals are filled (1s, 2s, 2p, 3s, 3p,...
25.7K
Controller Configurations01:22

Controller Configurations

Controller configurations are crucial in a car's cruise control system because they manage speed over time to maintain a consistent pace regardless of road conditions, thereby meeting design goals. In traditional control systems, fixed-configuration design involves predetermined controller placement. System performance modifications are known as compensation.
Control-system compensation involves various configurations, most commonly series or cascade compensation, in which the controller...
366