internuclear distance

Here is the internuclear distance between two atoms.

The minimum in the potential function is at a greater internuclear distance, and the vibration frequency is lower.

Exchange energy splittings are very elusive to calculate for molecular systems at large internuclear distances.

The most direct measure of the atomic radius is 1/2 the internuclear distance of the diatomic molecule.

The process is driven by dipolar coupling, and is therefore related to internuclear distances.

Consequently this denominator is almost unity for sufficiently large internuclear distances and only the surface integral of the numerator need be considered.

If we remove an electron from a non-bonding level, the potential functions of ion and molecule should have minima at very similar internuclear distances.

Cl internuclear distance is 3.80 Å.

Since the orientation of the target molecules relative to the electron beams is random, the internuclear distance information obtained is one-dimensional.

For the ground-state molecule, the spread of internuclear distances is represented by the ground-state wavefunction, with a maximum probability near the center.

The direct dipole-dipole coupling is very useful for molecular structural studies, since it depends only on known physical constants and the inverse cube of internuclear distance.

(6), is negative, Heisenberg first suggested that it changes sign at some critical ratio of internuclear distance to mean radial extension of the atomic orbital.

It has been one of the major obstacles in efficient extraction of internuclear distances, which are crucial in the structural analysis of biomolecular structure.

Diffraction occurs because the wavelength of electrons accelerated by a potential of a few thousand volts is of the same order of magnitude as internuclear distances in molecules.

Electronographic investigations of HfCl in gas phase showed that the Hf-Cl internuclear distance is 2.33 Å and the Cl.

For higher values further anharmonicity terms are needed as the molecule approaches the dissociation limit, at the energy corresponding to the upper (final state) potential curve at infinite internuclear distance.

The magnitude of the interaction is dependent on the spin species, the internuclear distance, and the orientation of the vector connecting the two nuclear spins with respect to the external magnetic field B (see figure).

The LeRoy radius, derived by Robert J. LeRoy, defines the internuclear distance between two atoms at which LeRoy-Bernstein theory (sometimes called near-dissociation theory) becomes valid.

Generally, valence s and p electrons are best considered delocalized, while 4f electrons are localized and 5f and 3d/4d electrons are intermediate, depending on the particular internuclear distances.

If the potential function of the ion shows no minimum, but a continuous decrease in energy with increasing internuclear distance, there are no discrete vibrational levels; can take a continuous range of values, giving a broad band.

By the Franck-Condon Principle, ionization occurs so fast that the internuclear distance does not have time to change; the ion is produced with the internuclear distance that was appropriate for the molecule, in what is called a 'vertical' transition.

These crystallographic studies have been used to demonstrate that the internuclear distance between the atoms at the base of the cyclopropenyl structure is indeed longer than would be expected for a normal cyclopropane molecule, while the external bonds appear to be shorter, indicating involvement of the internal cyclopropane bond in charge delocalization.

The rotational constant of the ground vibrational state B" and centrifugal distortion constant, D" can be found by least-squares fitting this difference as a function of J. The constant B" is used to determine the internuclear distance in the ground state as in pure rotational spectroscopy.