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A method for generating angular forces around $\sigma$-bonded transition metal ions is generalized to treat $\pi$-bonded configurations. The theoretical approach is based on an analysis of a ligand-field Hamiltonian based on the moments of…
Systematic studies of the rotation rate of sunspot groups using white-light images yield controversial results on the variations of the rotation rate: sunspot groups were found to either accelerate or decelerate systematically. This…
Using contact dynamics simulations, we compare the effect of rolling resistance at the contacts in granular systems composed of disks with the effect of angularity in granular systems composed of regular polygonal particles. In simple shear…
Single molecular rotor is an important component for constructing bot-tom-up molecular mechanical machines and a window for shedding light on complex physical and chemical questions about motions of organic molecules on surfaces. Stability…
In recent years, certain molecular crystals have been reported to possess surprising flexibility by undergoing significant elastic or plastic deformation in response to mechanical loads. However, despite this experimental evidence, there…
We present models for a heteronuclear diatomic molecular ion in a linear Paul trap in a rigid-rotor approximation, one purely classical, the other where the center-of-mass motion is treated classically while rotational motion is quantized.…
We analyze theoretically the interplay between the torsional and the rotational motion of an aligned biphenyl-like molecule. To do so, we consider a transition between two electronic states with different internal torsional potentials,…
Under the application of electrical currents, metal nanocrystals inside carbon nanotubes can be bodily transported. We examine experimentally and theoretically how an iron nanocrystal can pass through a constriction in the carbon nanotube…
The present work aims to investigate the effect of individual rotational energy levels on the fusion cross-sections for $^{16}$O-based reaction systems, namely, $^{16}$O + $^{182,184,186}$W, $^{16}$O + $^{176,180}${Hf}, $^{16}$O +…
A systematic investigation on the effects of roaming radical reactions on global combustion properties for transportation fuels is presented. New software was developed that can automatically discover all the possible roaming pathways…
On the millisecond to second time scale, stored beams of diatomic carbon anions C$_2{}^-$ from a sputter ion source feature unimolecular decay of yet unexplained origin by electron emission and fragmentation. To account for the magnitude…
The internal motion in a molecule, in which isomerization processes occur, is characterized by two essentially different modes of motion - oscillatory and rotational. The quantum equation of motion which describes an isomerization process…
The low-temperature (up to about 100K) collisional (de)excitation cross sections are computed using the full coupled-channel (CC) quantum dynamics for both Li$_2$ and Li$_2^+$ molecular targets in collision with $^4$He. The interaction…
In this work we report the results concerning calculations for quantum-mechanical rotational transitions in molecular hydrogen, H$_2$, induced by an ultra-cold ground state anti-hydrogen atom $\bar{H}_{1s}$. The calculations are…
In the present article explicit expressions for the decay rate and energy level shifts of an atom in the presence of an ideal conducting wedge, two parallel plates and a half-sheet are obtained in the frame work of the canonical…
A self-action problem for a point-like charged particle arbitrarily moving in flat space-time of six dimensions is considered. A consistent regularization procedure is proposed which relies on energy-momentum and angular momentum balance…
Grain boundary energies in different elements are correlated. The proportional scaling constants relating the energies of crystallography-equivalent boundaries in any two f.c.c. elements are nearly constant, with the notable exception of…
We present a study of the cold molecular gas kinematics in the inner ~ 4-7 kpc (projected sizes) of three nearby Seyfert galaxies, with AGN luminosities of ~ 10$^{44}$ erg/s, using observations of the CO(2-1) emission line, obtained with…
Using the method of breaking of circular symmetry and of subsequent symmetry restoration via projection techiques, we present calculations for the ground-state energies and excitation spectra of N-electron parabolic quantum dots in strong…
For a set of fcc metals our total energy calculations, based on many body potentials, show that activation barriers for lateral manipulation of an adatom at a step edge depend on the tip/substrate composition. Of the six homogeneous systems…