In this study, electronic structures of ground state of pure vanadium sub-nano clusters, Vn (n=2-5), and their interactions with small ligands for example CO and triplet O2 molecules are investigated by using density functional theory (DFT) calibration at the mPWPW91/QZVP level of theory. The favorable orientations of these ligands in interaction with pure vanadium sub-nano clusters were determ...

it is well known that ground-shaking site effect caused by an earthquake can vary significantly within a small distance. this is because at sites having soft soil and/or topographic and basement undulations, seismic energy gets trapped, leading to amplification of vibration that may cause considerable damage to man-made structures. theoretical analysis and observational data have shown that eac...

Nowadays nanotechnology allows to scale-down various important devices (sensors, chips, fibres, etc), and, thus, opens up new horizon for their applications. Nevertheless, the efficiency most of them is still based on the fundamental physical phenomena, such as resonances. Thus, the understanding of the resonance phenomena will be beneficial. One of the well-known examples is the resonant enhan...