The oxidative half-reaction of oxygen atom transfer from nitrate to an Mo(IV) complex has been investigated at various levels of theory. Two models have been used to simulate the enzyme active site. In the second, more advanced model, additional amino acid residues capable of significantly affecting the catalytic efficiency of the enzyme were included. B3LYP/6-31+G*, ONIOM, and orbital-free emb...

Electron donor-acceptor molecular charge transfer complexes (CTCs) formed by alpha-sexithiophene (6T) and tetrafluoro-tetracyano-quinodimethane (F4TCNQ) on a Au(111) surface are investigated by scanning tunneling microscopy, spectroscopy, and spectroscopic imaging at 6 K. New hybrid molecular orbitals are formed in the CTCs, and the highest occupied molecular orbital of the CTC is mainly locate...

Population transfer between low-lying Rydberg states independent of the initial state is realized using a train of half-cycle pulses with pulse durations much shorter than the classical orbital period. We demonstrate experimentally the population transfer from initial states around n = 50 with 10% of the population de-excited down to n < 40 as well as up to the continuum. This is a demonstratio...

We report on the first quantitative test of acoustic orbital angular momentum transfer to a sound absorbing object immersed in a viscous liquid. This is done by realizing an original experiment that is to spin a millimeter-size target disk using an ultrasonic vortex beam. We demonstrate the balance between the acoustic radiation torque calculated from the Brillouin stress tensor and the viscous...

We show that the usual picture of supersoft X–ray binary evolution as driven by conservative thermal–timescale mass transfer cannot explain the short orbital periods of RX J0537.7–7034 (3.5 hr) and 1E0035.4-7230 (4.1 hr). Non–conservative evolution may produce such periods, but requires very significant mass loss, and is highly constrained.

Photons can carry angular momentum, not only due to their spin, but also due to their spatial structure. This extra twist has been used, for example, to drive circular motion of microscopic particles in optical tweezers as well as to create vortices in quantum gases. Here we excite an atomic transition with a vortex laser beam and demonstrate the transfer of optical orbital angular momentum to ...

We report the observation of a unidirectional magnetoresistance (UMR) that originates from nonequilibrium orbital momentum induced by an electric current in naturally oxidized Cu/Co bilayer. The orbital-UMR scales with torque efficiency due to Rashba-Edelstein effect upon changing Co thickness and temperature, reflecting their common origin. attribute UMR orbital-dependent electron scattering o...

Background & Aims: The orbital cavity is an important anatomic structure in the face. It is in close connection with the skull, paranasal sinuses, and the nose. Precise knowledge of the orbital cavity dimensions can be helpful in the diagnosis and treatment of diseases associated with the orbital cavity. Due to the lack of adequate research on orbital size in Iran and the city of Kerman, the ai...

External impact to the orbit may cause a blowout or zygomatico-maxillary fractures. Diagnosis and treatment of orbital wall fractures are based on both physical examination and computed tomography scan of the orbit. Injuries of the orbit often require a reconstruction of its orbital walls. Using computer-assisted techniques, anatomically preformed orbital implants, and intraoperative imaging of...

In this research at the first, captopril drug (CA) and its fullerene connected form (FCA) wereoptimized. Natural Bond Orbital (NBO) calculations for these compounds were carried out at theB3LYP/6-31G quantum chemistry level, in the gas phase and the liquid phase. These calculations canbe performed at different accuracy levels depending on the aim of the theoretical study [1]. Forinstance, Densi...