Related papers: Understanding of different types of rolling motion…
We calculate the magnetism of 3d transition metals on Au(110)-(1$\times$2) surface and Au(111) surface based on the Density Functional Theory. Our results show that the spin moments of the two-side elements of the 3d group such as Ti, V, Co…
It is important to evaluate the total spin angular momentum of alkali-metal atoms if the atoms serve as a reservoir of angular momenta. We use an absorption-monitoring technique to measure <Fz>, i.e., the expectation values of the…
We report classical and tight-binding molecular dynamics simulations of the C$_{60}$ fullerene and cubane molecular crystal in order to investigate intermolecular dynamics and polymerization processes. Our results show that, for 200 K and…
Using first-principles calculations, we systematically study the potential energy surfaces and dissociation processes of the hydrogen molecule on the Mg(0001) surface. It is found that during the dissociative adsorption process with the…
A proof-of-principle experiment is reported, where torsional motion of a molecule, consisting of a pair of phenyl rings, is induced by strong laser pulses. A nanosecond laser pulse spatially aligns the carbon-carbon bond axis, connecting…
Kinetics of molecular oxygen / Au (001) surface interaction has been studied at high temperature and near atmospheric pressures of O2 gas with in situ x-ray scattering measurements. We find that the hexagonal reconstruction (hex) of Au…
We present an extensive range of quantum calculations for the state-changing rotational dynamics involving two simple molecular anions which are expected to play some role in evolutionary analysis of chemical networks in the Interstellar…
We study the elementary processes behind one of the pioneering works on STM controlled reactions of single molecules [Stipe et al., Phys. Rev. Lett. 81, 1263 (1998)]. Using the Keldysh-Green function approach for the vibrational generation…
Molecular machines described in this paper are meant to be such molecular systems that make use of conformational mobility (i.e. hindered rotation around chemical bonds and molecular construction deformations with formation and breakage of…
This work presents a study on the nonrelativistic quantum motion of a charged particle in a rotating frame, considering the Aharonov-Bohm effect and a uniform magnetic field. We derive the equation of motion and the corresponding radial…
The recent experimental fabrication of monolayer and few-layer C60 polymers paves the way for synthesizing two-dimensional cluster-assembled materials. Compared to atoms with the SO(3) symmetry, clusters as superatoms (e.g., C60) have an…
We consider the motion of uncharged dust grains of arbitrary shape including the effects of electromagnetic radiation and thermal emission. The resulting relativistically covariant equation of motion is expressed in terms of standard…
We have adapted classical molecular dynamics to study the structural and dynamical properties of amorphous silica surfaces. Concerning the structure, the density profile exhibits oscillations perpendicularly to the surface as observed in…
Carbon $1s$ core-hole excitation of the molecular anion C$_2^-$ has been experimentally studied at high resolution by employing the photon-ion merged-beams technique at a synchrotron light source. The experimental cross section for…
Solid-state cooling using barocaloric materials is a promising avenue for eco-friendly, inexpensive and highly efficient cooling. To design barocaloric compounds ready for deployment, it is essential to understand their thermodynamic…
We measure and theoretically determine the effect of molecular rotational splitting on Zeeman relaxation rates in collisions of cold Triplet-Sigma molecules with helium atoms in a magnetic field. All four stable isotopomers of the imidogen…
Rotation of triaxially deformed nucleus has been an interesting subject in the study of nuclear structure. In the present series of work, we investigate wobbling motion and chiral rotation by employing the microscopic framework of…
Cross sections for the rotational (de)excitation of CO by ground state para- and ortho-H_2 are obtained using quantum scattering calculations for collision energies between 1 and 520 cm^{-1}. A new CO-H_2 potential energy surface is…
The generation of unidirectional motion has been a long-standing challenge in engineering of molecular motors. Here, a mechanism driving the rotation is presented based on electron current through helical orbitals on a $\pi$-bonded carbon…
Many types of molecular motors have been proposed and synthesized in recent years, displaying different kinds of motion, and fueled by different driving forces such as light, heat, or chemical reactions. We propose a new type of molecular…