Reformulation of the D3(Becke-Johnson) Dispersion Correction without Resorting to Higher than C Dispersion

Heiner Schröder1, Anne Creon1, Tobias Schwabe1

  • 1Center for Bioinformatics and Institute of Physical Chemistry, University of Hamburg , Bundesstraße 43, 20146 Hamburg, Germany.

Related Concept Videos

Distance Corrections01:15

Distance Corrections

To achieve precise distance measurements, especially in surveying and construction, certain corrections must be applied to account for potential sources of error like the standardization errors, temperature variations, and slope adjustments.Standardization error emerges when measurement equipment undergoes changes, such as wear, repairs, or weather impacts. To address this, surveyors compare the equipment’s readings to a standard. This process identifies any deviation that might lead to...
375
Interference and Diffraction02:18

Interference and Diffraction

Interference is a characteristic phenomenon exhibited by waves. When two electromagnetic waves interact with their peaks and troughs coinciding, a resulting wave with enhanced amplitude is produced. This is known as constructive interference. In this case, the two waves interacting are in phase with each other.
54.3K
¹³C NMR: Distortionless Enhancement by Polarization Transfer (DEPT)01:20

¹³C NMR: Distortionless Enhancement by Polarization Transfer (DEPT)

When proton-coupled carbon-13 spectra are simplified by a broadband proton decoupling technique, structural information about the coupled protons is lost. Distortionless enhancement by polarization transfer (DEPT) is a technique that provides information on the number of hydrogens attached to each carbon in a molecule. While the DEPT experiment utilizes complex pulse sequences, the pulse delay and flip angle are specifically manipulated. The resulting signals have different phases depending on...
1.8K
Distribution and Dispersion00:54

Distribution and Dispersion

To understand intra-specific interactions in populations, scientists measure the spatial arrangement of species individuals. This geographic arrangement is known as the species distribution or dispersion. Highly territorial species exhibit a uniform distribution pattern, in which individuals are spaced at relatively equal distances from one another. Species that are highly tied to particular resources, such as food or shelter, tend to concentrate around those resources, and thus exhibit a...
25.9K
Van der Waals Interactions01:24

Van der Waals Interactions

Atoms and molecules interact with each other through intermolecular forces. These electrostatic forces arise from attractive or repulsive interactions between particles with permanent, partial, or temporary charges. The intermolecular forces between neutral atoms and molecules are ion–dipole, dipole–dipole, and dispersion forces, collectively known as van der Waals forces.
73.2K
Doppler Effect - II01:05

Doppler Effect - II

The Doppler effect has several practical, real-world applications. For instance, meteorologists use Doppler radars to interpret weather events based on the Doppler effect. Typically, a transmitter emits radio waves at a specific frequency toward the sky from a weather station. The radio waves bounce off the clouds and precipitation and travel back to the weather station. The radio frequency of the waves reflected back to the station appears to decrease if the clouds or precipitation are moving...
5.1K