Sentence examples for molecular interaction energy from inspiring English sources
At the critical state of liquid surface jump, the ratio of the gap between a tip and a liquid dome over the dome height (y0) is approximately (n−4) (for a large tip), which depends on the power law exponent n of the molecular interaction energy.
During the charging process, the system appears to be neutral [8] and therefore we may use the Lennard-Jones potential to determine the molecular interaction energy.
The β-parameter, β = WAB - (WAA + WBB/2)RT, evaluated for the quantification of molecular interactions of two distinct surface-active components A and B in a mixture, involves the evaluation of the mutual molecular interaction energy W at temperature T °K).
Later, molecular interaction energy fields correlated with biological activity were used to group 53 compounds into 4 classes.
A molecular interaction energy field model in combination with similarity indices and bioassay data created a useful classification system that included antiauxins.
VolSurf is a computational program that generates 2D molecular descriptors from 3D molecular interaction energy grid maps (Cruciani et al., 2000a; Cruciani et al., 2000b).
In this study the energy differences between B3LYP and CCSD are used as the dispersion contribution in the molecular interaction energies.
Boys and Bernardi proposed in cited reference CR6 a new direct difference method for the computation of molecular interaction energies with reduced errors.
Inter-molecular interaction energy (−28 to −45 kcal mol−1), counterpoised corrected (BSSE), and ΔEgCP-D3 methods are employed which confirm the existence of a strong covalent type of bonding between Py and TiO2 in nPy-TiO2 composites.
Additionally, based on the various intra- and inter-molecular interaction energy terms such as van der Waals forces (vdWf), we provide an assumption that the drug release may further be dependent on (1) the matrix rigidity and (2) the matrix flexibility inherent to the polymer fragments.
The factors affecting the fluorescence lifetime include: changes in pH, temperature, ion intensity, hydrophobic properties, oxygen concentration, molecular binding and molecular interaction by energy transfer when two proteins approach each other (Ishikawa-Ankerhold et al., 2012).
