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Prediction of the hyperpolarizabilities of isolated molecules has become extremely useful in guiding the design of chromophores being considered as candidates for non-linear optical (NLO) devices.
Intermolecular bonding, such as H-bonding or π π bonding, may be particularly problematic for analytical force fields because the parameters are typically optimized to reproduce properties of isolated molecules.
Although there are many studies that look at the traffic in the nucleus and through the nuclear envelope we propose a method to detect the nucleocytoplasmic transport kinetics in an unperturbed cell, with no requirement for specific labeling of isolated molecules and, most important, in the presence of the cell milieu.
The majority of work in this area involving mass spectrometry has focused on examination of isolated molecules.
Although AFM initially found its greatest utility in the imaging of isolated molecules and their dynamic interactions (Hansma and Ho 1994; Taatjes et al. 1997; Rand et al. 2003), more recently whole cell studies have become more prevalent (Madl et al. 2006).
Functional relationships between heats of vaporization and sublimation and properties associated with quantum mechanically determined electrostatic potentials of isolated molecules are established.
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The properties of amorphous solid thin films can be different from the properties of isolated molecule, due to interaction among the molecules in solid state.
LogP models the transport of molecules in biological systems, μ is the dipole moment of isolated molecule in Debye units, HOMO (Highest Occupied Orbital) and LUMO (Lowest Unoccupied Orbital) stand for energy of frontier orbitals in eV units.
The computation of shielding constants for isolated molecules together with the solid-state spectrum are of considerable value in understanding the solid-state structures of pentamidine analogs.
Crystal structure analysis at 2.6 Å resolution revealed conformational changes within the interface of both domains compared with the structure of the isolated molecules.
The fluorescence emission band characteristic for the aggregated π-stacked structure revealed specific CPL activity at wavelength range longer than that of the isolated molecules.
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